[molpro-user] Molpro 2010.1 PL20 with mpich2-nemesis and GA 5.0.2

[Jacek Klos]

Hi
I found the following discussion at hpctools google groups:
http://groups.google.com/group/hpctools/browse_thread/thread/3d66370b71a5b153
It seems similar to the problem I have with GA 5.0.2 and mpich2. I  
will try openmpi.
Was this bug resolved later?
Best
Jacek
__________________________________
Jacek Klos, Research Assistant Professor
Department of Chemistry and Biochemistry
University of Maryland
College Park, MD 20742 USA
tel: 1-301-405-1384
fax: 1-301-314-9121
http://www.researcherid.com/rid/A-6457-2008
___________________________________

On Apr 13, 2011, at 11:12 AM, Jacek Klos wrote:

> Dear Molpro Users and Developers,
>
> I compiled a source code for 2010.1 PL 20 with GA 5.0.2 and mpich2-
> nemesis. The machine is Mac OS X 10.6.7 with the newest Intel Ifort
> Composer XE.
>  When I run tests, I get the following error:
> Running job c6h6_freq_restart.test
> 0:Child process terminated prematurely, status=: 0
> (rank:0 hostname:mha-macpro5.umd.edu pid:77252):ARMCI DASSERT fail.
> src/signaltrap.c:SigChldHandler():178 cond:0
> **** PROBLEMS WITH JOB c6h6_freq_restart.test
> **** For further information, look in the output file
> **** /opt/molpro_mpp/molpro2010_GA5.0.2/molpro2010.1/testjobs/
> c6h6_freq_restart.errout
> Running job ch3_cosmo_dft.test
> 0:Child process terminated prematurely, status=: 0
> (rank:0 hostname:mha-macpro5.umd.edu pid:77352):ARMCI DASSERT fail.
> src/signaltrap.c:SigChldHandler():178 cond:0
> Running job ch4_b2plyp.test
> 0:Child process terminated prematurely, status=: 0
> (rank:0 hostname:mha-macpro5.umd.edu pid:77487):ARMCI DASSERT fail.
> src/signaltrap.c:SigChldHandler():178 cond:0
>
> Molpro first creates errout with the info of child process abortion,
> but then molpro continues and finished a job and regular output is
> created and
> it looks like molpro finishes a job OK. Here are my options for
> configures:
>
> Mpich2:
> sudo ./configure --with-device=ch3:nemesis --with-pm=gforker -- 
> prefix=/
> usr/local/mpich2_1.3.2p1_nemesis --enable-fc FC=ifort --enable-cc
> CC=gcc --enable-cxx CXX=g++
>
> GA 5.0.2
> sudo ./configure --with-tcgmsg --with-mpi="-I/usr/local/
> mpich2_1.3.2p1_nemesis/include -L/usr/local/mpich2_1.3.2p1_nemesis/lib
> -lpmpich -lmpich -lopa -lmpl" --enable-i8  F77=ifort CC=gcc CXX=g++ --
> prefix=/usr/local/ga-5-0-2-install
>
> Molpro 2010.1 patchlevel 20
> sudo ./configure -ifort -i8 -gcc -lapack -blas -nocuda -nohdf5 -mpp -
> mppbase /usr/local/ga-5-0-2 -gforker
>
> Does anybody have an idea what can be the reason? Global Arrays test.x
> test by itself tests OK.
>
> Best wishes
> Jacek
>
> __________________________________
> Jacek Klos, Research Assistant Professor
> Department of Chemistry and Biochemistry
> University of Maryland
> College Park, MD 20742 USA
> tel: 1-301-405-1384
> fax: 1-301-314-9121
> http://www.researcherid.com/rid/A-6457-2008
> ___________________________________
>
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