Hello,
I have compiled amber GPU series without any problem. However, when I try
to compile it with command line:
./configure -mpi -cuda gnu
it always failed with messages:
d ../util && make
make[5]: Entering directory '/soft/amber18/AmberTools/src/cpptraj/util'
mpicc -DMPI -D_LARGEFILE_SOURCE -D_FILE_OFFSET_BITS=64 -DLIBPME
-DHAVE_FFTWD=1 -DBUILDTYPE='"AmberTools"' -DAT_VERSION_STRING='"V19.03"'
-DBINTRAJ -DHASBZ2 -DHASGZ -DFFTW_FFT -DCUDA -o ../test/nproc -Wall -O3
-fPIC nproc.c
make[5]: Leaving directory '/soft/amber18/AmberTools/src/cpptraj/util'
make[4]: Leaving directory '/soft/amber18/AmberTools/src/cpptraj/src'
make[3]: Leaving directory '/soft/amber18/AmberTools/src/cpptraj'
make[2]: Leaving directory '/soft/amber18/AmberTools/src'
AmberTools parallel CUDA install complete.
make[1]: Leaving directory '/soft/amber18/AmberTools/src'
make[1]: Entering directory '/soft/amber18/src'
Starting installation of Amber18 (cuda parallel) at Thu 20 Jun 2019
01:05:03 PM CST.
cd ../AmberTools/src/etc && make parallel
make[2]: Entering directory '/soft/amber18/AmberTools/src/etc'
mpif90 -DBINTRAJ -DEMIL -DMPI -o numprocs numprocs.F90
mpif-sizeof.h:66:41:
Error: Array specification at (1) has more than 7 dimensions
mpif-sizeof.h:72:41:
Error: Array specification at (1) has more than 7 dimensions
mpif-sizeof.h:78:41:
Error: Array specification at (1) has more than 7 dimensions
mpif-sizeof.h:84:41:
Error: Array specification at (1) has more than 7 dimensions
mpif-sizeof.h:90:41:
Error: Ambiguous interfaces in generic interface 'pmpi_sizeof' for
‘pmpi_sizeof_real64_r14’ at (1) and ‘pmpi_sizeof_real64_r15’ at (2)
make[2]: *** [Makefile:114: parallel] Error 1
make[2]: Leaving directory '/soft/amber18/AmberTools/src/etc'
make[1]: *** [Makefile:55: cuda_parallel] Error 2
make[1]: Leaving directory '/soft/amber18/src'
make: *** [Makefile:8: install] Error 2
thanks a lot
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 19 2019 - 22:30:02 PDT
