I've a problem with parallel (MPI) installation of pmemd18 on cluster. The
serial install went smoothly.
May by the problem is in the old gcc(4.4.6)? Any suggestions would be
helpful.
The error is:
mpif90 -DMPI -DBINTRAJ -DEMIL -DPUBFFT -DGNU_HACKS -O3 -mtune=native
-I/home/kmirosh/Programs/amber18/include -c parallel_processor.F90
parallel_processor.F90:1298.94:
ecv(unpack_array_dbl(3,taskmap_idx), proc_num_atms_min_bound*14,
mpi_double, &
1
Error: Symbol 'mpi_double' at (1) has no IMPLICIT type
parallel_processor.F90:893.92:
irecv(recv_output_dbl(3,taskmap_idx_map), 9*proc_atm_alloc_size,
mpi_double, &
1
Error: Symbol 'mpi_double' at (1) has no IMPLICIT type
parallel_processor.F90:514.70:
call mpi_irecv(mpi_recv_buf_dble(:,s), mpi_recv_cnt(s), mpi_double,
proc_ne
1
Error: Symbol 'mpi_double' at (1) has no IMPLICIT type
parallel_processor.F90:278.72:
call mpi_irecv(mpi_recv_buf_dble(:,s), mpi_recv_cnt(s), mpi_double,
proc_
1
Error: Symbol 'mpi_double' at (1) has no IMPLICIT type
parallel_processor.F90:198.72:
call mpi_irecv(mpi_recv_buf_dble(:,s), mpi_recv_cnt(s), mpi_double,
proc_
1
Error: Symbol 'mpi_double' at (1) has no IMPLICIT type
make[3]: *** [parallel_processor.o] Error 1
make[3]: Leaving directory `/home/kmirosh/Programs/amber18/src/pmemd/src'
make[2]: *** [parallel] Error 2
make[2]: Leaving directory `/home/kmirosh/Programs/amber18/src/pmemd'
make[1]: *** [parallel] Error 2
make[1]: Leaving directory `/home/kmirosh/Programs/amber18/src'
make: *** [install] Error 2
[kmirosh.gdeveloper amber18]$ gfortran --version
GNU Fortran (GCC) 4.4.6 20120305 (Red Hat 4.4.6-4)
Copyright (C) 2010 Free Software Foundation, Inc.
[kmirosh.gdeveloper amber18]$ mpirun --version
mpirun (Open MPI) 1.4.3
with best regards,
Kateryna
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Received on Fri Jan 18 2019 - 14:00:03 PST
