Quantum Espresso v6.8 не компилируется на MacBook (Monterey 12.0.1 (21A559))

#macos #makefile #configure #lapack #quantum-computing

Вопрос:

Следуя опубликованному здесь руководству, я попытался установить новейшую версию quantum espresso (v6.8) на свой MacBook (macOS: Monterey 12.0.1 (21A559)). Поэтому я установил все необходимые пакеты (gcc, fftw, lapack, openblas, open-mpi, eigen) с помощью Homebrew. Следуя руководству, которое я использовал ./configure и получил:

 The following libraries have been found:
  BLAS_LIBS= -lblas
  LAPACK_LIBS=-L/usr/local/lib -llapack  -lblas
  FFT_LIBS=-L/usr/local/lib -lfftw3



Please check if this is what you expect.

If any libraries are missing, you may specify a list of directories
to search and retry, as follows:
  ./configure LIBDIRS="list of directories, separated by spaces"

Parallel environment detected successfully.
Configured for compilation of parallel executables.

For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).
--------------------------------------------------------------------
configure: success
 

После этого я использовал make all , а затем make install и команды для инициализации установки quantum espresso, но я получаю следующие ошибки:

 gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c device_auxfunc_mod.f90
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c device_fbuff.f90
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c device_fbuff_mod.f90
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c device_defs_mod.f90
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c device_linalg_mod.f90
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c device_memcpy_mod.f90
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c devxlib_mod.f90
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c device_memcpy_base.f90
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c device_memcpy_async.f90
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c device_malloc.f90
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c device_auxfunc.f90
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c device_linalg.f90
cc -O3  -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c timer.c
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c timer_mod.f90
ar ruv libdevXlib.a devxlib_mod.o device_defs_mod.o device_memcpy_base.o device_memcpy_async.o device_malloc.o device_memcpy_mod.o device_auxfunc.o device_auxfunc_mod.o device_fbuff.o device_fbuff_mod.o device_linalg.o device_linalg_mod.o timer.o timer_mod.o
ar: creating archive libdevXlib.a
a - devxlib_mod.o
a - device_defs_mod.o
a - device_memcpy_base.o
a - device_memcpy_async.o
a - device_malloc.o
a - device_memcpy_mod.o
a - device_auxfunc.o
a - device_auxfunc_mod.o
a - device_fbuff.o
a - device_fbuff_mod.o
a - device_linalg.o
a - device_linalg_mod.o
a - timer.o
a - timer_mod.o
/Library/Developer/CommandLineTools/usr/bin/ranlib: file: libdevXlib.a(devxlib_mod.o) has no symbols
/Library/Developer/CommandLineTools/usr/bin/ranlib: file: libdevXlib.a(device_defs_mod.o) has no symbols
/Library/Developer/CommandLineTools/usr/bin/ranlib: file: libdevXlib.a(device_memcpy_mod.o) has no symbols
/Library/Developer/CommandLineTools/usr/bin/ranlib: file: libdevXlib.a(device_auxfunc_mod.o) has no symbols
/Library/Developer/CommandLineTools/usr/bin/ranlib: file: libdevXlib.a(timer_mod.o) has no symbols
ranlib -c libdevXlib.a
/Library/Developer/CommandLineTools/usr/bin/ranlib: file: libdevXlib.a(devxlib_mod.o) has no symbols
/Library/Developer/CommandLineTools/usr/bin/ranlib: file: libdevXlib.a(device_defs_mod.o) has no symbols
/Library/Developer/CommandLineTools/usr/bin/ranlib: file: libdevXlib.a(device_memcpy_mod.o) has no symbols
/Library/Developer/CommandLineTools/usr/bin/ranlib: file: libdevXlib.a(device_auxfunc_mod.o) has no symbols
/Library/Developer/CommandLineTools/usr/bin/ranlib: file: libdevXlib.a(timer_mod.o) has no symbols
if test -d extlibs ; then 
    ( cd extlibs ; make ) ; fi
make[3]: Nothing to be done for `all'.
if test -d src/ ; then 
    ( cd src/ ; make test ) ; fi
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c test_memcpy.f90
gfortran -g -o test_memcpy.x test_memcpy.o 
           devxlib_mod.o device_defs_mod.o device_memcpy_base.o device_memcpy_async.o device_malloc.o device_memcpy_mod.o device_auxfunc.o device_auxfunc_mod.o device_fbuff.o device_fbuff_mod.o device_linalg.o device_linalg_mod.o timer.o timer_mod.o    -lblas
( cd ../bin ; ln -sf ../src/test_memcpy.x . )
gfortran -O3 -g -fallow-argument-mismatch -cpp    -I./ -I/Users/franz/Desktop/qe-6.8/external/devxlib//include -I../include/  -c test_memcpy_async.f90
test_memcpy_async.f90:405:67:

  405 |   call dev_memcpy_h2d_async(A_dev1__sp_r1d, A_hst1__sp_r1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:408:67:

  408 |   call dev_memcpy_d2d_async(A_dev2__sp_r1d, A_dev1__sp_r1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:412:66:

  412 |   call dev_memcpy_d2h_async(A_hst2__sp_r1d, A_dev2__sp_r1d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:505:67:

  505 |   call dev_memcpy_h2d_async(A_dev1__sp_r2d, A_hst1__sp_r2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:508:67:

  508 |   call dev_memcpy_d2d_async(A_dev2__sp_r2d, A_dev1__sp_r2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:512:66:

  512 |   call dev_memcpy_d2h_async(A_hst2__sp_r2d, A_dev2__sp_r2d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:605:67:

  605 |   call dev_memcpy_h2d_async(A_dev1__sp_r3d, A_hst1__sp_r3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:608:67:

  608 |   call dev_memcpy_d2d_async(A_dev2__sp_r3d, A_dev1__sp_r3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:612:66:

  612 |   call dev_memcpy_d2h_async(A_hst2__sp_r3d, A_dev2__sp_r3d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:705:67:

  705 |   call dev_memcpy_h2d_async(A_dev1__sp_r4d, A_hst1__sp_r4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:708:67:

  708 |   call dev_memcpy_d2d_async(A_dev2__sp_r4d, A_dev1__sp_r4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:712:66:

  712 |   call dev_memcpy_d2h_async(A_hst2__sp_r4d, A_dev2__sp_r4d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:806:67:

  806 |   call dev_memcpy_h2d_async(A_dev1__dp_r1d, A_hst1__dp_r1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:809:67:

  809 |   call dev_memcpy_d2d_async(A_dev2__dp_r1d, A_dev1__dp_r1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:813:66:

  813 |   call dev_memcpy_d2h_async(A_hst2__dp_r1d, A_dev2__dp_r1d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:906:67:

  906 |   call dev_memcpy_h2d_async(A_dev1__dp_r2d, A_hst1__dp_r2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:909:67:

  909 |   call dev_memcpy_d2d_async(A_dev2__dp_r2d, A_dev1__dp_r2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:913:66:

  913 |   call dev_memcpy_d2h_async(A_hst2__dp_r2d, A_dev2__dp_r2d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:1006:67:

 1006 |   call dev_memcpy_h2d_async(A_dev1__dp_r3d, A_hst1__dp_r3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:1009:67:

 1009 |   call dev_memcpy_d2d_async(A_dev2__dp_r3d, A_dev1__dp_r3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:1013:66:

 1013 |   call dev_memcpy_d2h_async(A_hst2__dp_r3d, A_dev2__dp_r3d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:1106:67:

 1106 |   call dev_memcpy_h2d_async(A_dev1__dp_r4d, A_hst1__dp_r4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:1109:67:

 1109 |   call dev_memcpy_d2d_async(A_dev2__dp_r4d, A_dev1__dp_r4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:1113:66:

 1113 |   call dev_memcpy_d2h_async(A_hst2__dp_r4d, A_dev2__dp_r4d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:1212:67:

 1212 |   call dev_memcpy_h2d_async(A_dev1__sp_c1d, A_hst1__sp_c1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:1215:67:

 1215 |   call dev_memcpy_d2d_async(A_dev2__sp_c1d, A_dev1__sp_c1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:1222:66:

 1222 |   call dev_memcpy_d2h_async(A_hst2__sp_c1d, A_dev2__sp_c1d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:1322:67:

 1322 |   call dev_memcpy_h2d_async(A_dev1__sp_c2d, A_hst1__sp_c2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:1325:67:

 1325 |   call dev_memcpy_d2d_async(A_dev2__sp_c2d, A_dev1__sp_c2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:1332:66:

 1332 |   call dev_memcpy_d2h_async(A_hst2__sp_c2d, A_dev2__sp_c2d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:1432:67:

 1432 |   call dev_memcpy_h2d_async(A_dev1__sp_c3d, A_hst1__sp_c3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:1435:67:

 1435 |   call dev_memcpy_d2d_async(A_dev2__sp_c3d, A_dev1__sp_c3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:1442:66:

 1442 |   call dev_memcpy_d2h_async(A_hst2__sp_c3d, A_dev2__sp_c3d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:1542:67:

 1542 |   call dev_memcpy_h2d_async(A_dev1__sp_c4d, A_hst1__sp_c4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:1545:67:

 1545 |   call dev_memcpy_d2d_async(A_dev2__sp_c4d, A_dev1__sp_c4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:1552:66:

 1552 |   call dev_memcpy_d2h_async(A_hst2__sp_c4d, A_dev2__sp_c4d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:1653:67:

 1653 |   call dev_memcpy_h2d_async(A_dev1__dp_c1d, A_hst1__dp_c1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:1656:67:

 1656 |   call dev_memcpy_d2d_async(A_dev2__dp_c1d, A_dev1__dp_c1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:1663:66:

 1663 |   call dev_memcpy_d2h_async(A_hst2__dp_c1d, A_dev2__dp_c1d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:1763:67:

 1763 |   call dev_memcpy_h2d_async(A_dev1__dp_c2d, A_hst1__dp_c2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:1766:67:

 1766 |   call dev_memcpy_d2d_async(A_dev2__dp_c2d, A_dev1__dp_c2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:1773:66:

 1773 |   call dev_memcpy_d2h_async(A_hst2__dp_c2d, A_dev2__dp_c2d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:1873:67:

 1873 |   call dev_memcpy_h2d_async(A_dev1__dp_c3d, A_hst1__dp_c3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:1876:67:

 1876 |   call dev_memcpy_d2d_async(A_dev2__dp_c3d, A_dev1__dp_c3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:1883:66:

 1883 |   call dev_memcpy_d2h_async(A_hst2__dp_c3d, A_dev2__dp_c3d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:1983:67:

 1983 |   call dev_memcpy_h2d_async(A_dev1__dp_c4d, A_hst1__dp_c4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:1986:67:

 1986 |   call dev_memcpy_d2d_async(A_dev2__dp_c4d, A_dev1__dp_c4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:1993:66:

 1993 |   call dev_memcpy_d2h_async(A_hst2__dp_c4d, A_dev2__dp_c4d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:2093:67:

 2093 |   call dev_memcpy_h2d_async(A_dev1__i4_i1d, A_hst1__i4_i1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:2096:67:

 2096 |   call dev_memcpy_d2d_async(A_dev2__i4_i1d, A_dev1__i4_i1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:2100:66:

 2100 |   call dev_memcpy_d2h_async(A_hst2__i4_i1d, A_dev2__i4_i1d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:2195:67:

 2195 |   call dev_memcpy_h2d_async(A_dev1__i4_i2d, A_hst1__i4_i2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:2198:67:

 2198 |   call dev_memcpy_d2d_async(A_dev2__i4_i2d, A_dev1__i4_i2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:2202:66:

 2202 |   call dev_memcpy_d2h_async(A_hst2__i4_i2d, A_dev2__i4_i2d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:2297:67:

 2297 |   call dev_memcpy_h2d_async(A_dev1__i4_i3d, A_hst1__i4_i3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:2300:67:

 2300 |   call dev_memcpy_d2d_async(A_dev2__i4_i3d, A_dev1__i4_i3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:2304:66:

 2304 |   call dev_memcpy_d2h_async(A_hst2__i4_i3d, A_dev2__i4_i3d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:2399:67:

 2399 |   call dev_memcpy_h2d_async(A_dev1__i4_i4d, A_hst1__i4_i4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:2402:67:

 2402 |   call dev_memcpy_d2d_async(A_dev2__i4_i4d, A_dev1__i4_i4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:2406:66:

 2406 |   call dev_memcpy_d2h_async(A_hst2__i4_i4d, A_dev2__i4_i4d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:2504:67:

 2504 |   call dev_memcpy_h2d_async(A_dev1__l4_l1d, A_hst1__l4_l1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:2507:67:

 2507 |   call dev_memcpy_d2d_async(A_dev2__l4_l1d, A_dev1__l4_l1d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:2511:66:

 2511 |   call dev_memcpy_d2h_async(A_hst2__l4_l1d, A_dev2__l4_l1d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:2607:67:

 2607 |   call dev_memcpy_h2d_async(A_dev1__l4_l2d, A_hst1__l4_l2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:2610:67:

 2610 |   call dev_memcpy_d2d_async(A_dev2__l4_l2d, A_dev1__l4_l2d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:2614:66:

 2614 |   call dev_memcpy_d2h_async(A_hst2__l4_l2d, A_dev2__l4_l2d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:2710:67:

 2710 |   call dev_memcpy_h2d_async(A_dev1__l4_l3d, A_hst1__l4_l3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:2713:67:

 2713 |   call dev_memcpy_d2d_async(A_dev2__l4_l3d, A_dev1__l4_l3d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:2717:66:

 2717 |   call dev_memcpy_d2h_async(A_hst2__l4_l3d, A_dev2__l4_l3d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
test_memcpy_async.f90:2813:67:

 2813 |   call dev_memcpy_h2d_async(A_dev1__l4_l4d, A_hst1__l4_l4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_h2d_async' at (1)
test_memcpy_async.f90:2816:67:

 2816 |   call dev_memcpy_d2d_async(A_dev2__l4_l4d, A_dev1__l4_l4d, stream)
      |                                                                   1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2d_async' at (1)
test_memcpy_async.f90:2820:66:

 2820 |   call dev_memcpy_d2h_async(A_hst2__l4_l4d, A_dev2__l4_l4d,stream)
      |                                                                  1
Error: There is no specific subroutine for the generic 'dev_memcpy_d2h_async' at (1)
make[3]: *** [test_memcpy_async.o] Error 1
make[2]: *** [tests] Error 2
make[1]: *** [libcuda_devxlib] Error 2
make: *** [libcuda] Error 2
 

Я думаю, что это связано с LAPACK_LIBS, но я не уверен, и я не знаю, как решить эту проблему. Любая помощь приветствуется, и, пожалуйста, сообщите мне, если вам нужна дополнительная информация. Заранее спасибо!

Ответ №1:

У меня была аналогичная проблема, но не для Macbook, поскольку я компилировал версию q-e для gpu. У меня была та же ошибка, в которой указывалось, что инструкции для общей подпрограммы не найдены.

На удивление, это оказалось проблемой с cmake. Какую версию cmake вы используете? Вы можете узнать это, введя в терминале: cmake --version

Согласно документации, необходима версия 3.14 или выше.

Комментарии:

1. хороший момент. просто увидел, что я не cmake установлен.

2. после установки cmake и повторного выполнения шагов установки QE он все еще не работает.

3. кстати, моя cmake версия 3.21.4

4. Какие ошибки вы получаете сейчас? Тот самый? Я также рекомендую ознакомиться с архивами или обратиться к списку рассылки, поскольку там есть более знающие люди. quantum-espresso.org/forum

5. Я получаю следующую ошибку: 1 warning generated. clang: error: no input files make[1]: *** [laxlib.fh] Error 1 make: *** [libla] Error 1