Re: [Wien] Automatic running of -bash in the terminal
The Wien2k code uses tcsh, so bash has nothing to with Wien2k. If it is truly using so many resources you should ask on some bash related list server, not here. --- Professor Laurence Marks Department of Materials Science and Engineering Northwestern University www.numis.northwestern.edu "Research is to see what everybody else has seen, and to think what nobody else has thought" Albert Szent-Györgyi On Fri, Dec 2, 2022, 03:51 shamik chakrabarti wrote: > Dear Wien2k users, > > I have successfully re-installed wien2k in a work > station. However, if I run some calculations, after some time the program > gets stopped with an automatic running of -bash in the terminal. The > program -bash is almost taking the half of cpu resource while the actual > calculation get stopped. Please suggest if any other information is > required to solve the problem. > > with regards, > > -- > Dr. Shamik Chakrabarti > Research Fellow > Department of Physics > Indian Institute of Technology Patna > Bihta-801103 > Patna > Bihar, India > ___ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] Automatic running of -bash in the terminal
Dear Wien2k users, I have successfully re-installed wien2k in a work station. However, if I run some calculations, after some time the program gets stopped with an automatic running of -bash in the terminal. The program -bash is almost taking the half of cpu resource while the actual calculation get stopped. Please suggest if any other information is required to solve the problem. with regards, -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
Re: [Wien] Error during compilation
That's not enough information. You would need to look for additional information inside the SRC_hf/compile.msg file for troubleshooting the error. It might also help to upgrade to WIEN2k 21.1. On the updates page [1], it has written the following were it looks like WIEN2k 21.1 fixed significant hf bugs that WIEN2k 19.1 had.*** * *SRC_hf:* Fix for "spin-polarized calc. + SO and no inversion symmetry (never really "active"),atoms up to ZZ=118 [1] http://susi.theochem.tuwien.ac.at/reg_user/updates/ Kind Regards, Gavin WIEN2k user On 12/1/2022 3:11 AM, shamik chakrabarti wrote: Dear Wien2k users, I have tried to install wien2k 19.1 in a workstation in which Ubantu is installed. Compilation progresses with an error at SRC_hf as follows; make[1]: *** [Makefile:273: read_uc.o] Error 1 make[1]: Leaving directory '/usr/local/Wien2k/SRC_hf' make: *** [Makefile:183: complex] Error 2 "compile.msg" 393L, 37610C Please suggest. with regards, -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
[Wien] Error during compilation
Dear Wien2k users, I have tried to install wien2k 19.1 in a workstation in which Ubantu is installed. Compilation progresses with an error at SRC_hf as follows; make[1]: *** [Makefile:273: read_uc.o] Error 1 make[1]: Leaving directory '/usr/local/Wien2k/SRC_hf' make: *** [Makefile:183: complex] Error 2 "compile.msg" 393L, 37610C Please suggest. with regards, -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
