[molpro-user] Molpro 2010.1 PL20 compilation problem with openmpi 1.4.1 and ga-5-0-2

[Panwang Zhou]

Dear all:

 

I encounter the following problem while compiling molpro 2010.1 PL20 with
openmpi and ga-5-0-2 in our Linux Cluster.

 

OS£º SLES 10 SP3 x86_64

`uname ¨Ca`: Linux cn001 2.6.16.60-0.54.5-smp #1 SMP Fri Sep 4 01:28:03 UTC
2009 x86_64 x86_64 x86_64 GNU/Linux

 

Openmpi was compiled with icc and ifort, and I have compiled some other
problem such as nwchem, CPMD etc with it, all of those work fine.

 

First I source the intel compiler and openmpi env using the following
command:

source /hptc_cluster3/application/env/intel10_openmpi1.4.rc

 

The configure parameters for ga:

mkdir bld && cd bld 

 ../configure --prefix=`pwd` --with-scalapack=no --enable-f77 F77=ifort
CC=icc CXX=icpc
--with-mpi="/hptc_cluster3/application/mpi/openmpi/1.4.1/icc_ifort/lib
-I/hptc_cluster3/application/mpi/openmpi/1.4.1/icc_ifort/include"
--with-openib 2>&1 | tee configure.log

make ¨Cj 8 2>&1 | tee make.log

make install

 

The configure parameters for molpro 2010.1:

./configure -icc -ifort -mpp -mppbase
/hptc_cluster3/software/chem/molpro_2010.1/build_openmpi/ga-5-0-2/bld
-openmpi -nohdf5 -var LIBS="-libverbs"

 

The compilation was done successfully without problem. When I run molpro
within one node with 8 cpu cores, the jobs can be done successfully without
any problem. However, when I run molpro within two nodes with 16 cpus,
although the jobs can also be done and the result is also correct, it print
the following information to stdout (I submit jobs with LSF, and the
following is written to stdout, not stderr):

 

ARMCI configured for 2 cluster nodes. Network protocol is 'OpenIB Verbs
API'.

0:Segmentation Violation error, status=: 11

(rank:0 hostname:cn040 pid:8271):ARMCI DASSERT fail.
../../armci/src/signaltrap.c:SigSegvHandler():312 cond:0

13:Segmentation Violation error, status=: 11

(rank:13 hostname:cn043 pid:21877):ARMCI DASSERT fail.
../../armci/src/signaltrap.c:SigSegvHandler():312 cond:0

0:Segmentation Violation error, status=: 11

(rank:0 hostname:cn040 pid:8287):ARMCI DASSERT fail.
../../armci/src/signaltrap.c:SigSegvHandler():312 cond:0

0:Segmentation Violation error, status=: 11

(rank:0 hostname:cn040 pid:8286):ARMCI DASSERT fail.
../../armci/src/signaltrap.c:SigSegvHandler():312 cond:0

0:Segmentation Violation error, status=: 11

(rank:0 hostname:cn040 pid:8288):ARMCI DASSERT fail.
../../armci/src/signaltrap.c:SigSegvHandler():312 cond:0

13:Segmentation Violation error, status=: 11

(rank:13 hostname:cn043 pid:21898):ARMCI DASSERT fail.
../../armci/src/signaltrap.c:SigSegvHandler():312 cond:0

13:Segmentation Violation error, status=: 11

(rank:13 hostname:cn043 pid:21897):ARMCI DASSERT fail.
../../armci/src/signaltrap.c:SigSegvHandler():312 cond:0

13:Segmentation Violation error, status=: 11

(rank:13 hostname:cn043 pid:21899):ARMCI DASSERT fail.
../../armci/src/signaltrap.c:SigSegvHandler():312 cond:0

 

Anybody know how to resolve this prolem? Thanks.

 

==============================================
Panwang Zhou   
State Key Laboratory of Molecular Reaction Dynamics
Dalian Institute of Chemical Physics
Chinese Academy of Sciences.
Tel: 0411-84379195 Fax: 0411-84675584
===============================================

 

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