Dear Wien2k users, I am now facing a new but related error to the previous one: Now the error says: setrlimit(): Invalid argument stop error My OS: Cluster, PBS Pro (SGI ProPack6SP2 AltixXE 250 2CPU/8core 32GB Memory), Suse Enterprise Server 10 (x86-64), I am using ssh login.
After I have the supercell struct file in place and init_lapw, in the working directory I do "run_lapw -p -ec 0.0001" - then instantly I got the above mentioned error, the lapw does not seem to start running at all. A "ls -l *.error" gives four error files but all of them are of size of zero. Originally I traced the similar error to the Stack size setting problem, and with Professor Marks' help I had commented out the line "ulimit -s unlimit" out from my .bashrc file, and I have logout the cluster and relogin more than twice. I search the email achieve without result, I googled it but it points to me the same place as I previously had (Stack Size setting issue - but that is no an issue at lest in the .bashrc file anymore) - Now I don't know where to go from here. Any help/hint would be much appreciated. Thank you very much. Kind regards, Qiwen =========== ------Original Message------ From:"Laurence Marks"<L-marks at northwestern.edu> To:"A Mailing list for WIEN2k users"<wien at zeus.theochem.tuwien.ac.at> Cc: Subject:Re: [Wien] commenting out the line "ulimit -s unlimit" from .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 Server 10 (x86_64)) for the Stack size setting permission: >> It was the system policy that a user is not allowed to set the stack size in >> anyway. ?That is: >> "ulimit -s whateveramount" is not allowed - so for the line inserted in my >> .bashrc file by WIEN, how do I go around this problem? The system support is >> not changing anything for this in his side (but he said that "the stack size >> is unlimited on computer nodes when users run jobs"). So can I just delete >> this line from 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 for Materials Science >> >> 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047, Japan >> Phone: +81-29-851-3354, ext. no. 6482, Fax: +81-29-859-2501 >> >> ********************************************************** >> >> _______________________________________________ >> Wien mailing list >> Wien at zeus.theochem.tuwien.ac.at >> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien >> > > > >-- >Laurence Marks >Department of Materials Science and Engineering >MSE Rm 2036 Cook Hall >2220 N Campus Drive >Northwestern University >Evanston, IL 60208, USA >Tel: (847) 491-3996 Fax: (847) 491-7820 >email: L-marks at northwestern dot edu >Web: www.numis.northwestern.edu >Chair, Commission on Electron Crystallography of IUCR >www.numis.northwestern.edu/ >Research is to see what everybody else has seen, and to think what >nobody else has thought >Albert Szent-Gyorgi >_______________________________________________ >Wien mailing list >Wien at zeus.theochem.tuwien.ac.at >http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien ********************************************************** 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 Phone: +81-29-851-3354, ext. no. 6482, Fax: +81-29-859-2501 **********************************************************