Hi,
I am getting the following error when compiling cuda mpi in AMBER16:
...
mpif90 -DMPI -DBINTRAJ -DEMIL -DPUBFFT -DGNU_HACKS -O3 -mtune=native
-DCUDA -DGTI -DMPI -DMPICH_IGNORE_CXX_SEEK
-I/truba/home/iyavuz/amber16/include -c charmm.F90
mpif90 -DMPI -DBINTRAJ -DEMIL -DPUBFFT -DGNU_HACKS -O3 -mtune=native
-DCUDA -DGTI -DMPI -DMPICH_IGNORE_CXX_SEEK
-I/truba/home/iyavuz/amber16/include -c -o AmberNetcdf.o
../../../AmberTools/src/lib/AmberNetcdf.F90
../../../AmberTools/src/lib/AmberNetcdf.F90:57:6:
use netcdf
1
Fatal Error: Cannot read module file ‘netcdf.mod’ opened at (1), because
it was created by a different version of GNU Fortran
compilation terminated.
make[4]: *** [AmberNetcdf.o] Error 1
make[4]: Leaving directory `/truba/home/iyavuz/amber16/src/pmemd/src'
make[3]: *** [cuda_parallel_SPFP] Error 2
make[3]: Leaving directory `/truba/home/iyavuz/amber16/src/pmemd/src'
make[2]: *** [cuda_parallel] Error 2
make[2]: Leaving directory `/truba/home/iyavuz/amber16/src/pmemd'
make[1]: *** [cuda_parallel] Error 2
make[1]: Leaving directory `/truba/home/iyavuz/amber16/src'
make: *** [install] Error 2
...
The mpif90 info is below:
GNU Fortran (GCC) 7.0.1 20170326 (experimental)
Copyright (C) 2017 Free Software Foundation, Inc.
This is free software; see the source for copying conditions. There is
NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR
PURPOSE.
Any help is appreciated.
Ilhan
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Received on Tue Sep 24 2019 - 07:30:02 PDT
