Dear Amber community,
I have been attempting to perform the parallel install of Amber9 on Red Hat Enterprise Linux 5 (i386), using GNU compilers (gfortran, gcc, et al.) and OpenMPI-1.2.4, however the following error is encountered:
Error: Can't open included file 'mpif-common.h'
In file _evb_init.f:366
call mpi_bcast ( xdat_dia(n)% filename, 512, MPI_CHARACTER, 0, commwor
1
Error: Symbol 'mpi_character' at (1) has no IMPLICIT type
In file _evb_init.f:361
call mpi_bcast ( xdat_dia(n)% q, ndim, MPI_DOUBLE_PRECISION, 0, commwo
1
Error: Symbol 'mpi_double_precision' at (1) has no IMPLICIT type
In file _evb_init.f:321
call mpi_bcast ( ndim, 1, MPI_INTEGER, 0, commworld, ierr )
1
Error: Symbol 'mpi_integer' at (1) has no IMPLICIT type
make[1]: *** [evb_init.o] Error 1
make[1]: Leaving directory `/usr/local/amber9/src/sander'
make: *** [parallel] Error 2
In an attempt to resolve such an error, I have edited my "config.h" file so that:
MPI_HOME=/usr/local/MPI
FPPFLAGS=-I/usr/local/MPI/include -P -DMPI -xassembler-with-cpp -Dsecond=ambsecond $(AMBERBUILDFLAGS)
FC=/usr/local/MPI/bin/mpif90
However, after attempting the installation again, the following error is reported:
_force.f:(.text+0x12ea): undefined reference to `mpi_bcast_'
_force.f:(.text+0x1989): undefined reference to `mpi_bcast_'
_force.f:(.text+0x19d3): undefined reference to `mpi_bcast_'
_force.f:(.text+0x1a03): undefined reference to `mpi_bcast_'
force.o:_force.f:(.text+0x1a32): more undefined references to `mpi_bcast_' follow
force.o: In function `force_':
_force.f:(.text+0x226a): undefined reference to `mpi_allgather_'
_force.f:(.text+0x22aa): undefined reference to `mpi_allgather_'
collect2: ld returned 1 exit status
make[1]: *** [sander.MPI] Error 1
make[1]: Leaving directory `/usr/local/amber9/src/sander'
make: *** [parallel] Error 2
At this point I am unable to gather information on previous occurances of such a problem, however, I am curious as to why the FC is set to mpif90 instead of the gfortran? Also, might there be an MPI version of the C compiler to use instead of gcc with which to compile the parallel version to maintain cohesion with the mpif90 ?
I'm just speculating, but any and all assistance is greatly appreciated!!
-Joe Nolan
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Received on Wed Oct 31 2007 - 06:08:03 PDT
