[CP2K-user] [CP2K:16417] Error in Allocating Memory

[Moe El]

HI everyone,
I am trying to run a geometry optimization of rgd and deca-alanine - as 
shown in the attachments - but I seem to get an error- as shown in the 
slurm output files and the calculations don't even start. I am very new to 
CP2K and would like guidance in any shape or form. Thank you all for your 
time and effort.
P.S. I tried to add a MEMORY Subsection to see if that would allow the 
calculations to run for the deca-alanine but it seems not to work - 
slurm-4235.out 

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/fcc7f97e-32f5-49da-b1a4-c9fa40cbf04dn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211230/27f369ca/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: rgd_geo.inp
Type: chemical/x-gamess-input
Size: 1975 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211230/27f369ca/attachment.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: slurm-4228.out
Type: application/octet-stream
Size: 920 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211230/27f369ca/attachment.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: slurm-4235.out
Type: application/octet-stream
Size: 725 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211230/27f369ca/attachment-0001.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: deca_geo.inp
Type: chemical/x-gamess-input
Size: 2024 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211230/27f369ca/attachment-0001.inp>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: rgd_geo.out
Type: application/octet-stream
Size: 8647 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211230/27f369ca/attachment-0002.obj>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: deca.xyz
Type: chemical/x-xyz
Size: 5517 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211230/27f369ca/attachment.xyz>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: rgd.xyz
Type: chemical/x-xyz
Size: 2258 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20211230/27f369ca/attachment-0001.xyz>