[Wien] Wien2k for HPC
Peter Blaha
pblaha at theochem.tuwien.ac.at
Thu Mar 18 21:45:50 CET 2021
There could be several problems.
One is how the permissions are set.
The idea is that the "others" have no access at all,
while the wien2k directory should belong to a special group (eg group
"wien2k") with rx permission; and all users, belonging to this group can
then use wien2k "in principle".
The second thing is of course that each user must set his environment
and execute
userconfig_lapw
Then logout/login and wien2k should be in your PATH.
PS: I strongly recommend that you read the UG and checkout the pdf +
video about "Installation" at www.wien2k.at (workshops ...)
Am 18.03.2021 um 16:20 schrieb Microsoft.com team:
> Dear wien2k team and developers
> I would like to install wien2k_19 on cluster.
> However, I asked the team of HPC to not to permit public to use it.
> It happened but they are not able to execute it from any directory
> except from wien_root directory!!!!
> How can I execute it from any directory.. I know that this is possible
> using bachrc file on my pc but what about clustered!!!!!.
> Thanks a lot.
> Tarek Hammad.
>
>
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--
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at
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