[molpro-user] Problems during make MOLPRO_OPTIONS=-n4 test

[G Mahesh]

Dear Andy,

Sorry, by mistakenly I have sent the previous mail before uploading all
files those You have asked.

Thanks,

Mahesh.


On Tue, Jul 2, 2013 at 12:25 AM, G Mahesh
<gmahesh at students.iiserpune.ac.in>wrote:

> Dear Andy,
>
> Thanks for the quick reply,
>
> Find the files in the attachment those You have asked.
>
> Thanks,
> Mahesh.
>
>
> On Mon, Jul 1, 2013 at 11:08 PM, Andy May <MayAJ1 at cardiff.ac.uk> wrote:
>
>> Mahesh,
>>
>> Please could you post both the CONFIG file and lif_msmrci output file so
>> we can try to reproduce the problem.
>>
>> Best wishes,
>>
>> Andy
>>
>>
>> On 01/07/13 17:47, G Mahesh wrote:
>>
>>> Dear MOLPRO users,
>>>
>>> We have recently installed MOLPRO on our cluster having 64 cores using
>>> global arrays. During the installation, we have used all gfortran
>>> compilers except intel version of mkl for blas libraries.
>>>
>>> After installation, up to serial testing everything was fine. but, when
>>> we tried to run the test files with 4 cores then, the test job
>>> lif_msmrci.test is creating problem. It is stopping suddenly by printing
>>> the below error in the out put. I guess, it's related to memory issue.
>>>
>>> echo of the out put having error.
>>>
>>>   ? Error
>>>   ? micro iteration not converged
>>>   ? The problem occurs in cif12solve
>>>
>>> Strange error;  in the out put, it had done only 2 iterations and
>>> printing that micro iteration not converged.
>>>
>>> Please help me to resolve the problem.
>>>
>>> Thanks,
>>>
>>> Mahesh.
>>>
>>>
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>>> Molpro-user mailing list
>>> Molpro-user at molpro.net
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>>>
>>>
>
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