Memory allocation issues with Dirac

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Giorgio Visentin

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Aug 18, 2022, 11:31:47 AMAug 18
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Dear Sirs, 

while running a KRCI calculation with Dirac, I am facing the issue on dynamic memory allocation. Precisely, I am told in the output file that:

 Fatal error at allocation for var. id unnamed variable


 Fatal memory allocation error at gasdiat_rel_+0x502

 Error when allocating memory at subroutine:gasdiat_rel_+0x502



 adding the      Memory requested in current allocation          :    853 Mb

 to the          Current dynamical memory usage                  :  20127 Mb

 will exceed the User-defined dynamically allocated memory limit :  20966 Mb



 Please consult the user manual for information on how to solve this issue.

How may I solve this problem? For more detailed information, the output file is attached.

Kind regards,

Giorgio Visentin
LuOp-new_mol_distance=1.7.out

Peterson, Kirk

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Aug 18, 2022, 12:08:34 PMAug 18
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Dear Giorgio.

 

it looks to me like you just need to allocate more memory to your job.  I would suggest adding much more than 853 Mb though, since this may be just the first memory request of several to come in the KRCI setup.

 

regards,

 

-Kirk

 

From: <dirac...@googlegroups.com> on behalf of Giorgio Visentin <grgvi...@gmail.com>
Reply-To: "dirac...@googlegroups.com" <dirac...@googlegroups.com>
Date: Thursday, August 18, 2022 at 8:31 AM
To: dirac-users <dirac...@googlegroups.com>
Subject: [dirac-users] Memory allocation issues with Dirac

 

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Andre Gomes

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Aug 18, 2022, 12:38:44 PMAug 18
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hi giorgio,

as kirk noted, you should allocate more memory

more specifically, now to me from your output it looks like you are using something like

--gb 19.66 --ag 20.47

as arguments to the pam script.

what you should do is increase both values by at least 1gb (i would suggest more, if you still have room to increase the memory per mpi process you're using).

i hope this helps.

best,

andre


Giorgio Visentin

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Aug 19, 2022, 5:21:50 AMAug 19
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Dear sirs,

thanks a lot for your response. After manually setting the dynamically allocated memory amount, the calculation seems to work properly.

I thank you very much for your availability.

Best wishes,

Giorgio
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