Amount of memory in the BSE calculation

You can find here problems arising when using old releases of Yambo (< 5.0). Issues as parallelization strategy, performance issues and other technical aspects.

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javad
Posts: 44
Joined: Fri Feb 28, 2014 10:23 pm

Amount of memory in the BSE calculation

Post by javad » Sat Jun 03, 2017 6:04 am

Dear yambo developers

I have a question on the amount of memory required for a BSE calculation.

I notice that the code while is constructing the Kernel, continue to allocate other things, for example BS_T_group_X_oscillators

Code: Select all

<04m-30s> P0001: Kernel |                                        | [000%] --(E) --(X)
 <06h-36m-51s> P0001: Kernel |###                                     | [009%] 06h-32m-20s(E) 02d-23h-55m-50s(X)
 <04m-30s> P0001: [M  3.366 Gb] Alloc BS_T_group_X_oscillators ( 1.904)
 <13h-49m-03s> P0001: Kernel |#######                                 | [018%] 13h-44m-33s(E) 03d-03h-35m-02s(X)
 <21h-23m-42s> P0001: Kernel |##########                              | [027%] 21h-19m-12s(E) 03d-06h-10m-25s(X)
 <01d-04h-58m-05s> P0001: Kernel |##############                          | [036%] 01d-04h-53m-35s(E) 03d-07h-27m-21s(X)
in my case, in a large calculation the code stops at 36% and crashes.
Is it possible that yambo is trying to allocate more memory?

regards
Javad
Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran

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Daniele Varsano
Posts: 4209
Joined: Tue Mar 17, 2009 2:23 pm
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Re: Amount of memory in the BSE calculation

Post by Daniele Varsano » Tue Jun 06, 2017 8:46 am

dear Javad,
the BS_T_group_X_oscillators are needed to build up the kernel.
Anyway I do not like the timing in your run, can you please post: input/report/Logs file?

Best,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

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