NWChem compilation version 6.5

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Just Got Here
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Posts 3
1:06:57 PM PDT - Thu, Sep 24th 2015
When I compiled NWChem with the following

ifort -c -i8 -align -fimf-arch-consistency=true -O3 -unroll -ip -xHost -I. -I/home/zyzhang/openmpi/openmpi-1.8.4/zyzhang/intel/composer_xe_2015.2.164//include -I/home/zyzhang/nwchem/Nwchem-6.5.revision26243/src/include -I/home/zyzhang/nwchem/Nwchem-6.5.revision26243/src/tools/install/include -DEXT_INT -DLINUX -DLINUX64 -DIFCV8 -DIFCLINUX -DPARALLEL_DIAG -DMPI ./nwpw/nwpwlib/Parallel/Parallel-mpi.F

I got the following error:

./nwpw/nwpwlib/Parallel/Parallel-mpi.F(1911): error #6404: This name does not have a type, and must have an explicit type. [MPIERR]
    >              pto,msgtype,comm_world,mpierr)

Could you please let me know what I am missing here?

Thanks!

Zhiyong

Forum Vet
Threads 4
Posts 936
4:16:08 PM PDT - Thu, Sep 24th 2015
Please post output from the following commands

mpif90 -show
env | grep MPI
ls -lrt $MPI_INCLUDE
Edited On 4:16:24 PM PDT - Thu, Sep 24th 2015 by Edoapra

Just Got Here
Threads 1
Posts 3
11:36:13 AM PDT - Wed, Sep 30th 2015
Quote:Edoapra Sep 24th 4:16 pm
Please post output from the following commands

mpif90 -show
env | grep MPI
ls -lrt $MPI_INCLUDE

Just Got Here
Threads 1
Posts 3
12:14:08 PM PDT - Wed, Sep 30th 2015
Hi Edo,

I added the int mpierr declaration in a few places nwpw/nwpwlib/Parallel/Parallel-mpi.F and I was able to compile it.

Zhiyong

mpif90 -show
ifort -I/share/sw/free/openmpi/1.8.7/intel/2015/include -I/share/sw/free/openmpi/1.8.7/intel/2015/lib -Wl,-rpath -Wl,/share/sw/free/openmpi/1.8.7/intel/2015/lib -Wl,--enable-new-dtags -L/share/sw/free/openmpi/1.8.7/intel/2015/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi

env | grep MPI
MPI_INCLUDE=/share/sw/free/openmpi/1.8.7/intel/2015/include
I_MPI_DAPL_UD=enable
VT_MPI=impi4
I_MPI_F77=ifort
I_MPI_FABRICS=shm:ofa
LIBMPI=-lmpi_mpifh -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil
OMPI_F77=ifort
OMPI_FC=ifort
USE_MPIF=y
MPI_LIB=/share/sw/free/openmpi/1.8.7/intel/2015/lib
USE_MPI=y
OMPI_F90=ifort
I_MPI_F90=ifort
I_MPI_CC=icc
I_MPI_HYDRA_IFACE=ib0
MPI_LOC=/share/sw/free/openmpi/1.8.7/intel/2015
OMPI_CC=icc
I_MPI_CXX=icpc
MPI_ROOT=/share/sw/free/openmpi/1.8.7/intel/2015
MPICH_PATH=/share/sw/free/openmpi/1.8.7/intel/2015
OMPI_CXX=icpc
MAP_MPI_WRAPPER=/home/zyzhang/.allinea/wrapper/libmap-sampler-pmpi-sherlock-ln02.stanford.edu.so
I_MPI_ROOT=/share/sw/licensed/intel/pstudio_xe_cluster-2015//impi/5.0.1.035

ls -lrt $MPI_INCLUDE
total 1331
-rw-r--r-- 1 kilian sw-admin 11580 Jul 15 13:46 mpif-constants.h
-rw-r--r-- 1 kilian sw-admin 166396 Jul 15 13:46 mpi.h
-rw-r--r-- 1 kilian sw-admin 1812 Jul 15 13:46 mpif-externals.h
-rw-r--r-- 1 kilian sw-admin 255 Jul 15 13:46 mpi-ext.h
-rw-r--r-- 1 kilian sw-admin 7598 Jul 15 13:46 mpif-handles.h
-rw-r--r-- 1 kilian sw-admin 2715 Jul 15 13:46 mpif.h
-rw-r--r-- 1 kilian sw-admin 1958 Jul 15 13:46 mpif-io-constants.h
-rw-r--r-- 1 kilian sw-admin 188 Jul 15 13:46 mpif-ext.h
-rw-r--r-- 1 kilian sw-admin 1065 Jul 15 13:46 mpif-io-handles.h
-rw-r--r-- 1 kilian sw-admin 91338 Jul 15 13:46 mpif-sizeof.h
-rw-r--r-- 1 kilian sw-admin 2955 Jul 15 13:46 mpif-sentinels.h
-rw-r--r-- 1 kilian sw-admin 16055 Jul 15 13:46 mpi_portable_platform.h
-rw-r--r-- 1 kilian sw-admin 2711 Jul 15 13:46 mpif-config.h
drwxr-xr-x 3 kilian sw-admin 22 Jul 15 13:47 openmpi
drwxr-xr-x 3 kilian sw-admin 702 Jul 15 13:49 vampirtrace
-rw-r--r-- 1 kilian sw-admin 1364 Jul 15 13:49 shmem.fh
drwxr-xr-x 2 kilian sw-admin 51 Jul 15 13:49 mpp
-rw-r--r-- 1 kilian sw-admin 21186 Jul 15 13:49 shmem.h
-rw-r--r-- 1 kilian sw-admin 6780 Jul 15 13:49 shmemx.h
-rw-r--r-- 1 kilian sw-admin 1060 Jul 15 13:49 shmem-compat.h
-rw-r--r-- 1 kilian sw-admin 19901 Jul 15 13:49 pshmem.h
-rw-r--r-- 1 kilian sw-admin 6744 Jul 15 13:49 pshmemx.h


Quote:Edoapra Sep 24th 4:16 pm
Please post output from the following commands

mpif90 -show
env | grep MPI
ls -lrt $MPI_INCLUDE

Forum Vet
Threads 4
Posts 936
1:40:37 PM PDT - Wed, Sep 30th 2015
Quote:Zyzhang Sep 30th 11:14 am
Hi Edo,

I added the int mpierr declaration in a few places nwpw/nwpwlib/Parallel/Parallel-mpi.F and I was able to compile it.

Zhiyong





This is a sign that something is wrong in your definition of the mpi fortran header files.
You probably need to set USE_MPIF4=y
Edited On 1:41:54 PM PDT - Wed, Sep 30th 2015 by Edoapra


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