ABINIT Discussion Forums

Hi forum,

I'm trying to compile the parallel version of abinit-6.0.3 with OpenMPI on my group's computing cluster. I have previously been able to compile 5.8 and 5.7 versions of abinit, but 6.0 fails to compile when I run make.

For this failed attempt at compiling I first configured using:

$ ./configure CC=mpicc CXX=mpicxx FC=mpif90 --enable-mpi=yes --disable-all-plugins --enable-mpi-io

and configure runs without any problems (I've attached config.log).

Then I use:

$ make

which runs for a while and then fails in ./src/12_hide_mpi when it chokes on some MPI_RECV and MPI_SEND for 5d arrays in xexch_mpi.F90 (lines 507 and 510). Below I've pasted some of the output from make:

Making all in 12_hide_mpi
make[3]: Entering directory `/afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/12_hide_mpi'
mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -free -module /afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/mods -O2 -g -extend-source -vec-report0 -c -o xallgather_mpi.o xallgather_mpi.F90
mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -free -module /afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/mods -O2 -g -extend-source -vec-report0 -c -o xallgatherv_mpi.o xallgatherv_mpi.F90
mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -free -module /afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/mods -O2 -g -extend-source -vec-report0 -c -o xalltoallv_mpi.o xalltoallv_mpi.F90
mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -free -module /afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/mods -O2 -g -extend-source -vec-report0 -c -o xalltoall_mpi.o xalltoall_mpi.F90
mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -free -module /afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/mods -O2 -g -extend-source -vec-report0 -c -o xbarrier_mpi.o xbarrier_mpi.F90
mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -free -module /afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/mods -O2 -g -extend-source -vec-report0 -c -o xcast_mpi.o xcast_mpi.F90
mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -free -module /afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/mods -O2 -g -extend-source -vec-report0 -c -o xcomm_rank.o xcomm_rank.F90
mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -free -module /afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/mods -O2 -g -extend-source -vec-report0 -c -o xcomm_size.o xcomm_size.F90
mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -free -module /afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/mods -O2 -g -extend-source -vec-report0 -c -o xerror_string.o xerror_string.F90
mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -free -module /afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/mods -O2 -g -extend-source -vec-report0 -c -o xexch_mpi.o xexch_mpi.F90
xexch_mpi.F90(507): error #6285: There is no matching specific subroutine for this generic subroutine call. [MPI_RECV]
call MPI_RECV(vrecv,n1*n2*n3*n4*n5,MPI_DOUBLE_PRECISION,sender,etiq,spaceComm,statux,ier)
-------^
xexch_mpi.F90(510): error #6285: There is no matching specific subroutine for this generic subroutine call. [MPI_SEND]
call MPI_SEND(vsend,n1*n2*n3*n4*n5,MPI_DOUBLE_PRECISION,recever,etiq,spaceComm,ier)
-------^
compilation aborted for xexch_mpi.F90 (code 1)
make[3]: *** [xexch_mpi.o] Error 1
make[3]: Leaving directory `/afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src/12_hide_mpi'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3/src'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/afs/slac.stanford.edu/package/ABINIT/abinit-6.0.3'
make: *** [all] Error 2


I would greatly appreciate any help/ideas from the Abinit gurus of the forum. Thanks in advance. Cheers,

Adam

Could you try the following?

I'm in the same predicament with OPENMPI1.33, Intel fortran 11.1.046

Hi,

Thanks for getting back to me so quickly. I tried running configure with the flags you suggested, but I get the exact same error when I run make. Any other suggestions? Cheers,
Adam

Then the problem comes from the MPI implementation you're using. It might be related to the way it has been compiled.

You should ask your system administrator.

Thanks very much for your help. I'll talk to the system admin. Cheers,
Adam

I uninstall the OPENMPI1.3.2, and update to openmpi 1.3.3. Then No error with Openmpi 1.3.3! You can try the new version!

Thanks very much for the advice. Cheers, Adam

see also viewtopic.php?f=9&t=242