[Wien] force minimization

Laurence Marks L-marks at northwestern.edu
Sun Apr 8 13:22:40 CEST 2012


Sorry, no idea. If it worked, then ignore it. Did it occur just once,
or many times?

If you see this type of message many times there could be some issues
with your cluster. Do a google search on "failed to map segment from
shared object:Cannot allocate memory" and you will find that this is
common. However, you need someone with sysadmin experience to help go
further to understand by looking in the system logs (debugging a
cluster is well beyond my expertise and beyond this list).

On Sun, Apr 8, 2012 at 12:30 AM, Yundi Quan <quanyundi at gmail.com> wrote:
> I am running WIEN2k on a cluster. I requested 32 cores and 32 G
> memory. I tried to do structure minimization by changing the case.inm
> into MSR1a (updating both structure and electron density at the same
> time). The program can run without any error message. However, in the
> output files, it says that:
> /WIEN2k_11/pairhess: error while loading shared libraries:
> libmkl_intel_thread.so: failed to map segment from shared object:
> Cannot allocate memory
>
>
> I can still get a minimized structure though. I just want to know what
> prompted this message.
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu 1-847-491-3996
"Research is to see what everybody else has seen, and to think what
nobody else has thought"
Albert Szent-Gyorgi


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