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

[Andy May]

Jacek,

I don't believe the problem got fixed in GA, but I don't see the problem 
with MPICH2 1.3.3rc1. I would now recommend the use of hydra instead of 
gforker.

Many of the options you passed to Molpro's configure were default (-i8, 
-nocuda), it is best to give options only if you want to change the 
default behaviour, it is then much easier for others to read your 
configure line.

It might be worth trying our auto-build options, which are still 
experimental, but worked when I tried with 10.6.7 using latest ifort:

./configure -batch -gcc -ifort -mpp -auto-ga-tcgmsg-mpich2

This worked for me and I didn't see the problems you mentioned.

Best wishes,

Andy

On 13/04/11 18:27, Jacek Klos wrote:
> 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
>> ___________________________________
>>
>> _______________________________________________
>> Molpro-user mailing list
>> Molpro-user at molpro.net
>> http://www.molpro.net/mailman/listinfo/molpro-user
>
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