[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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