[molpro-user] Problem in LMP2 calculations

[Andy May]

Jani,

I reproduce the crash with a seg fault. I've made a bug report about the 
problem:

https://www.molpro.net/bugzilla/show_bug.cgi?id=3968

Best wishes,

Andy

On 24/01/13 10:52, Moilanen Jani wrote:
> Hi Andy,
>
> Here is the input.
>
> Jani
> ________________________________________
> Lähettäjä: mayaj1 at Cardiff.ac.uk [mayaj1 at Cardiff.ac.uk]
> Lähetetty: 24. tammikuuta 2013 12:45
> Vastaanottaja: Moilanen Jani
> Cc: molpro-user at molpro.net
> Aihe: Re: [molpro-user] Problem in LMP2 calculations
>
> Jani,
>
> Could you send an example input file which demonstrates the problem?
>
> Thanks,
>
> Andy
>
> On 24/01/13 08:58, Moilanen Jani wrote:
>> Dear Molpro users,
>>
>>
>> I am performing LMP2 calculations and encountered a problem.If I use the
>> REGION directive and density fitting approximation together,
>> calculations crash during the LMP2 step without error message. If I
>> carry out calculations without the REGION directive, they run perfectly
>> fine. Please, can anyone advise me with this problem?
>>
>>
>> Best regards,
>>
>> Jani Moilanen
>>
>> P.S. I am using the Molpro version 2010.1.25.
>>
>>
>>
>>
>>
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>>