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

[G Mahesh]

Dear Andy,

Here is the output file of lif_msmrci.test.

Thanks,

Mahesh


On Tue, Jul 2, 2013 at 12:28 AM, G Mahesh
<gmahesh at students.iiserpune.ac.in>wrote:

> 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 at molpro.net
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>>>>
>>>>
>>
>
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