[molpro-user] insufficient memory available
Marcela Madrid
mmadrid at psc.edu
Tue Oct 8 14:55:24 BST 2013
Manhui, thanks for your answer.
Are you sure then that it is not a bug?
The reason that I am asking is because I see the same error here:
http://listarc.com/showthread.php?5047277-How+to+compute+MP2+natural+orbitals%3F
thanks,
Marcela
On Oct 8, 2013, at 5:12 AM, Manhui Wang wrote:
> Dear Marcela,
>
> There are two ways to specify Molpro memory:
>
> (1) command line flag -m
> http://www.molpro.net/info/2012.1/doc/manual/node31.html
>
> (2) memory card in Molpro input file
> http://www.molpro.net/info/2012.1/doc/manual/node56.html
> eg.
> memory, 100, m
>
>
> If neither is specified, then Molpro will use the default memory size (8000000 words).
>
> One can check how much memory is used by looking at
>
> Variable memory set to *** words
>
> in Molpro output.
>
> Here is the summary about the memory settings:
>
> http://www.molpro.net/pipermail/molpro-user/2010-April/003723.html
>
>
> Best wishes,
> Manhui
>
> On 07/10/13 22:02, Marcela Madrid wrote:
>> hi,
>>
>> we are getting the following error when running MOLPRO.2012.1
>> on an SGI UV 1000cc-NUMA shared-memory system comprising 256 blades:
>>
>> insufficient memory available - require 28426707 have
>> 7921369
>> the request was for real words
>>
>> I would like to double-check if this is a bug that requires downloading another version of molpro.
>> Also, we run without specifying the memory flag. Is there a way to know the default memory that molpro allocates?
>>
>> thank you very much, Marcela
>>
>>
>>
>>
>>
>> _______________________________________________
>> Molpro-user mailing list
>> 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
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