[Wien] Ploting DOS

2011-09-15 Thread Dr Qiwen YAO
** Dr QiWen YAO JSPS Fellow Multifunctional Materials Group Optical and Electronic Materials Unit Environment and Energy Materials Research Division National Institute for Materials Science 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan

[Wien] error setrlimit(): Invalid argument

2011-07-30 Thread Dr Qiwen YAO
, 2011 at 5:19 AM, Dr Qiwen YAO Yao.Qiwen at nims.go.jp wrote: Dear Wien2k users, I've come across an issue when running WIEN2k 11 in a cluster (PBS Pro, SUSE Linux Enterprise Server 10 (x86_64)) for the Stack size setting permission: It was the system policy that a user is not allowed to set

[Wien] error setrlimit(): Invalid argument

2011-07-30 Thread Dr Qiwen YAO
, but is not working on your system for some reason. There was a similar bug on a Mac which I believe is cured with this version. On Fri, Jul 29, 2011 at 9:23 AM, Dr Qiwen YAO Yao.Qiwen at nims.go.jp wrote: Dear Wien2k users, I am now facing a new but related error to the previous one: Now the error

[Wien] error setrlimit(): Invalid argument

2011-07-30 Thread Dr Qiwen YAO
Date:07/29/2011 01:01:50 PM(-0500) Yes, and anywhere else (mixer, perhaps some others ) -- do ls */W2kutils.c N.B., of course you only need to recompile the relevant directories. On Fri, Jul 29, 2011 at 12:51 PM, Dr Qiwen YAO Yao.Qiwen at nims.go.jp wrote: Dear Professor Marks, The file

[Wien] commenting out the line ulimit -s unlimit from .bashrc?

2011-07-29 Thread Dr Qiwen YAO
the .bashrc file? Would that affect the WIEN2k execution? Thank you, Qiwen Yao ** Dr QiWen YAO JSPS Fellow Multifunctional Materials Group Optical and Electronic Materials Unit Environment and Energy Materials Research Division National Institute

[Wien] commenting out the line ulimit -s unlimit from .bashrc?

2011-07-29 Thread Dr Qiwen YAO
.bashrc? Date:07/29/2011 06:14:14 AM(-0500) Delete the line -- if he has already set it as unlimited. On Fri, Jul 29, 2011 at 5:19 AM, Dr Qiwen YAO Yao.Qiwen at nims.go.jp wrote: Dear Wien2k users, I've come across an issue when running WIEN2k 11 in a cluster (PBS Pro, SUSE Linux Enterprise

[Wien] OMP_NUM_THREADS

2011-07-28 Thread Dr Qiwen YAO
Institut of Inorganic and Analytical Chemistry Johannes Gutenberg - University 55099 Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;Dr Qiwen YAO [Yao.Qiwen at nims.go.jp] Gesendet

[Wien] OMP_NUM_THREADS

2011-07-28 Thread Dr Qiwen YAO
Mainz Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at zeus.theochem.tuwien.ac.at]quot; im Auftrag von quot;Dr Qiwen YAO [Yao.Qiwen at nims.go.jp] Gesendet: Mittwoch, 27. Juli 2011 17:30 Bis: A Mailing list for WIEN2k users Betreff: Re: [Wien

[Wien] OMP_NUM_THREADS

2011-07-27 Thread Dr Qiwen YAO
in the place of localhost? Any comment would be greatly appreciated. Thank you! Kind regards, Qiwen ** Dr QiWen YAO JSPS Fellow Multifunctional Materials Group Optical and Electronic Materials Unit Environment and Energy Materials