[molpro-user] inconsistent memory problem

[Andy May]

Shireen.

I see earlier that you mention you do not have 2010.1, but certainly you
are licensed for this version, so I recommend to upgrade your
installation regardless.

Best wishes,

Andy

On 12/10/10 21:10, Shireen Falah wrote:
> Dear Manhui,
> Thanks a lot for your kind reply.
> The input and output files are attached to this email.
> Thanks a gain
> Best wishes
> Shireen
> 
>  
> 
> ------------------------------------------------------------------------
> *From:* Manhui Wang <wangm9 at cardiff.ac.uk>
> *To:* Shireen Falah <shiro_he at yahoo.com>
> *Sent:* Wed, October 6, 2010 10:37:52 AM
> *Subject:* Re: [molpro-user] inconsistent memory problem
> 
> 
> Shireen Falah wrote:
>> Dear Manhui,
>> Thanks a lot for your reply.
>> The molpro version I am using is mpp  2008.1-5 (patch 5). Are you saying
>> that it is a bug that cannot be fixed in molpro 2008?
> Not really. Compared with 2008.1, the functionality is essentially the
> same as in 2010.1, but many bug fixes and improvements have been added.
> If you could provide the full input/output, I would investigate it.
>> We do not have 2010.1!
>> Best regards
>> Shireen
>>
>>
>>
>> ------------------------------------------------------------------------
>> *From:* Manhui Wang <wangm9 at cardiff.ac.uk <mailto:wangm9 at cardiff.ac.uk>>
>> *To:* Shireen Falah <shiro_he at yahoo.com <mailto:shiro_he at yahoo.com>>
>> *Sent:* Tue, October 5, 2010 7:05:34 PM
>> *Subject:* Re: [molpro-user] inconsistent memory problem
>>
>> Dear Sherin,
>>
>> Which version of Molpro are you using? The current release is 2010.1.
>> Does it still fail with 2010.1?
>>
>> Best regards,
>> Manhui
>>
>> Shireen Falah wrote:
>>> Dear Molpro people,
>>> I am trying to run a calculations CASSCF calculations using molpro but I
>>> have a continuously crashing job due to "memory reasons".
>>> I always have some error message like:
>>>
>>> "/USED MEMORY IN cislow:        39606842  39655096
>>>  FREE MEMORY IN cislow:      39603930583960344804
>>>  ? Error
>>>  ?  Inconsistent memory
>>>  ? The problem occurs in check_address/"
>>>
>>> I have installed the latest patch (patch 5) but the same error still
>>> persist. I am using 2 processors to run the calculations....
>>> I have tried many values for the memory starting from 200 to 40000! I
>>> also tried to use the default memory but it did not solve it!
>>> Would you please help me how to solve this memory problem ?
>>> note: my input file is shown below.
>>>
>>> Thanks in advance
>>> Best regards
>>> Sherin Alfalah
>>>
>>>
>>
> ---------------------------------------------------------------------------
>>> *Input file: *
>>> /memory,4000,M
>>> file,2,........................../min.wfu
>>> basis=VDZ
>>> geomtyp=xyz
>>> geometry={
>>> 32
>>> minimum geometry (ground state)
>>> /
>>> /}
>>> {hf;
>>> wf,charge=0,spin=0}
>>> optg,coord=bmat
>>> put, molden, retinal-min-rhf-cas.molden/
>>> /gprint,orbitals,civector/
>>> /multi
>>> START,2140.2;
>>> !rotate 33.1 41.1
>>> occ,57;
>>> closed,45;
>>> wf,charge=0,spin=0;
>>> state,2;
>>> orbital 2140.2
>>> natorb, Print,ci;
>>> put, molden, rEtinal-min-rhf-cas2.molden
>>> ci; noexc
>>> state 2
>>> save, 6000.2
>>> dm, 8000.2
>>> /
>>>
>>>
>>>
>>>
>>>
>>>
>>> ------------------------------------------------------------------------
>>>
>>> _______________________________________________
>>> Molpro-user mailing list
>>> Molpro-user at molpro.net <mailto:Molpro-user at molpro.net>
> <mailto:Molpro-user at molpro.net <mailto:Molpro-user at molpro.net>>
>>> http://www.molpro.net/mailman/listinfo/molpro-user
>>
>> --
>> -----------
>> Manhui  Wang
>> School of Chemistry, Cardiff University,
>> Main Building, Park Place,
>> Cardiff CF10 3AT, UK
>> Telephone: +44 (0)29208 76637
>>
> 
> -- 
> -----------
> Manhui  Wang
> School of Chemistry, Cardiff University,
> Main Building, Park Place,
> Cardiff CF10 3AT, UK
> Telephone: +44 (0)29208 76637
> 
> 
> 
> 
> 
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