[molpro-user] Molpro 2010 problem

[jyh-shyong]

  Hi,

Thanks for your reply.  I checked and rebuilt my GA library, and ran the 
test:

mpirun_rsh -ssh -hostfile ./hosts -np 4   ./global/testing/test.x

.....

   CHECKING GA MEMORY RESTRICTIONS (MA not used)



 > Creating array  283 by  283 -- should succeed
   (need  160178 and   631600 out of  641600 bytes are left)

    success

 > Creating array  566 by  566 -- SHOULD FAIL
   (need  640712 and   470288 out of  641600 bytes are left)

    failure



                          GA Statistics for process    0
                          ------------------------------

        create   destroy   get      put      acc     scatter   gather  
read&inc
calls:   11       10     5057      411      395       16       14      100
number of processes/call 1.05e+00 1.22e+00 1.03e+00 3.50e+00 4.00e+00
bytes total:             3.01e+06 1.48e+06 6.47e+04 2.15e+04 2.13e+04 
8.00e+02
bytes remote:            1.87e+06 1.03e+06 4.67e+04 1.67e+04 1.59e+04 
8.00e+02
Max memory consumed for GA by this process: 171312 bytes


It seems OK.  Then I rebuilt Molpro2k10.1 and ran a test case, I got:

testjobs at irish2:[1061] mpirun_rsh -ssh -hostfile ./hosts -np 4 
/package/chem/molpro/2k10.1/bin/molprop_2010_1_Linux_x86_64_i8 -o 
JOB.out JOB.com
Permission denied.
Some rank on 'irish2' exited without finalize.
Cleaning up all processes ...
done.
Permission denied.
Some rank on 'irish2' exited without finalize.
Cleaning up all processes ...
done.
Permission denied.
Some rank on 'irish2' exited without finalize.
Cleaning up all processes ...
done.
Permission denied.
Some rank on 'irish2' exited without finalize.
Cleaning up all processes ...
done.
Some rank on 'irish2' exited without finalize.
Cleaning up all processes ...
done.


Jyh-Shyong Ho



於 2010/10/4 下午 08:54, Manhui Wang 提到:
> Hello,
>
> It looks something wrong with the mvapich2 or GA.
> Does your mvapich2 work fine with a simple Hello Word program?
> Has your Global Arrays been built successfully?  Has it passed the
> tests? eg.
> mpirun -np 4 ./global/testing/test.x
> (please ensure mpd is running)
>
> Best wishes,
> Manhui
>
>
> Jyh-Shyong wrote:
>>    Hi Molpro users,
>>
>> I compiled parallel version of Molpro 2010.01 with ifort and mvapich/GA
>> 4.2，when I tried to run a test job I got the following
>> error message:
>>
>> /opt/vltmpi/OPENIB/mpi/bin/mpirun -machinefile ./hosts -np 4
>> /package/chem/molpro/2k10.1/bin/molprop_2010_1_Linux_x86_64_i8.exe  JOB.com
>> Permission denied.
>> Some rank on 'irish3' exited without finalize.
>> Cleaning up all processes ...
>> done.
>>
>> Any idea?
>>
>> File   ./hosts contains 4 lines:
>>
>> irish3
>> irish3
>> irish3
>> irish3
>>
>> Thanks for your help.
>>
>> Jyh-Shyong Ho, Ph.D.
>> Research Scientist
>> National Center for High Performance Computing
>> Hsinchu, Taiwan, ROC
>>
>>
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