Re: [Wien] Terminal closes automatically and the job terminates.
With bash this should be run_lapw ... >STDOUT 2>&1 & On 13.09.2023 19:47, Peter Blaha wrote: I'm using a tcsh. There you would detach a job from the terminal using: run_lapw ... >& STDOUT & The job will continue, even if the terminal closes. All output and errors are directed into a file called STDOUT, which you can view whenever you want. There must be something similar for the bash shell. PS: As was mentioned before: Why are you using 500 k-points for a cell with 300 atoms ?? There is a good reason to upgrade to wien2k_23.2. The new init_lapw would automatically choose a reasonable number of k-points. Depending on the selected precision (-prec 0-3(n)) eventually ONE k-point is enough for the scf cycle. Also the RKMAX would be set properly, you probably run with a much too large value. Am 13.09.2023 um 18:58 schrieb Pranjal Nandi: Dear Member, Hello. My WIEN2k version is 21.1 I am running a simulation on a supercell containing about 300 atoms which I expect to run for days (2 days maybe). Using 500 K points. However, even if I use the nohup command, the terminal automatically closes after an hour or so and the job also terminates abruptly. May I please know what could be the possible reasons behind it? In case additional information is needed, please let me know. Thank you. With warm regards, Pranjal Aquest missatge, i els fitxers adjunts que hi pugui haver, pot contenir informació confidencial o protegida legalment i s’adreça exclusivament a la persona o entitat destinatària. Si no consteu com a destinatari final o no teniu l’encàrrec de rebre’l, no esteu autoritzat a llegir-lo, retenir-lo, modificar-lo, distribuir-lo, copiar-lo ni a revelar-ne el contingut. Si l’heu rebut per error, informeu-ne el remitent i elimineu del sistema tant el missatge com els fitxers adjunts que hi pugui haver. Este mensaje, y los ficheros adjuntos que pueda incluir, puede contener información confidencial o legalmente protegida y está exclusivamente dirigido a la persona o entidad destinataria. Si usted no consta como destinatario final ni es la persona encargada de recibirlo, no está autorizado a leerlo, retenerlo, modificarlo, distribuirlo o copiarlo, ni a revelar su contenido. Si lo ha recibido por error, informe de ello al remitente y elimine del sistema tanto el mensaje como los ficheros adjuntos que pueda contener. This email message and any attachments it carries may contain confidential or legally protected material and are intended solely for the individual or organization to whom they are addressed. If you are not the intended recipient of this message or the person responsible for processing it, then you are not authorized to read, save, modify, send, copy or disclose any part of it. If you have received the message by mistake, please inform the sender of this and eliminate the message and any attachments it carries from your account. ___ 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 -- --- Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-158801165300 Email: peter.bl...@tuwien.ac.at WWW: http://www.imc.tuwien.ac.at WIEN2k: http://www.wien2k.at - ___ 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
Re: [Wien] Terminal closes automatically and the job terminates.
I'm using a tcsh. There you would detach a job from the terminal using: run_lapw ... >& STDOUT & The job will continue, even if the terminal closes. All output and errors are directed into a file called STDOUT, which you can view whenever you want. There must be something similar for the bash shell. PS: As was mentioned before: Why are you using 500 k-points for a cell with 300 atoms ?? There is a good reason to upgrade to wien2k_23.2. The new init_lapw would automatically choose a reasonable number of k-points. Depending on the selected precision (-prec 0-3(n)) eventually ONE k-point is enough for the scf cycle. Also the RKMAX would be set properly, you probably run with a much too large value. Am 13.09.2023 um 18:58 schrieb Pranjal Nandi: Dear Member, Hello. My WIEN2k version is 21.1 I am running a simulation on a supercell containing about 300 atoms which I expect to run for days (2 days maybe). Using 500 K points. However, even if I use the nohup command, the terminal automatically closes after an hour or so and the job also terminates abruptly. May I please know what could be the possible reasons behind it? In case additional information is needed, please let me know. Thank you. With warm regards, Pranjal Aquest missatge, i els fitxers adjunts que hi pugui haver, pot contenir informació confidencial o protegida legalment i s’adreça exclusivament a la persona o entitat destinatària. Si no consteu com a destinatari final o no teniu l’encàrrec de rebre’l, no esteu autoritzat a llegir-lo, retenir-lo, modificar-lo, distribuir-lo, copiar-lo ni a revelar-ne el contingut. Si l’heu rebut per error, informeu-ne el remitent i elimineu del sistema tant el missatge com els fitxers adjunts que hi pugui haver. Este mensaje, y los ficheros adjuntos que pueda incluir, puede contener información confidencial o legalmente protegida y está exclusivamente dirigido a la persona o entidad destinataria. Si usted no consta como destinatario final ni es la persona encargada de recibirlo, no está autorizado a leerlo, retenerlo, modificarlo, distribuirlo o copiarlo, ni a revelar su contenido. Si lo ha recibido por error, informe de ello al remitente y elimine del sistema tanto el mensaje como los ficheros adjuntos que pueda contener. This email message and any attachments it carries may contain confidential or legally protected material and are intended solely for the individual or organization to whom they are addressed. If you are not the intended recipient of this message or the person responsible for processing it, then you are not authorized to read, save, modify, send, copy or disclose any part of it. If you have received the message by mistake, please inform the sender of this and eliminate the message and any attachments it carries from your account. ___ 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 -- --- Peter Blaha, Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna Phone: +43-158801165300 Email:peter.bl...@tuwien.ac.at WWW:http://www.imc.tuwien.ac.at WIEN2k:http://www.wien2k.at - ___ 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] Terminal closes automatically and the job terminates.
Hi, for the latest versions of ubuntu, the system stops the program when RAM is saturated. 500 Points for 300 atoms, I think you must reduce this number beaucause the cell is verly large. De : Wien de la part de Pranjal Nandi Envoyé : mercredi 13 septembre 2023 17:58 À : 曹迎迎 via Wien Objet : [Wien] Terminal closes automatically and the job terminates. Dear Member, Hello. My WIEN2k version is 21.1 I am running a simulation on a supercell containing about 300 atoms which I expect to run for days (2 days maybe). Using 500 K points. However, even if I use the nohup command, the terminal automatically closes after an hour or so and the job also terminates abruptly. May I please know what could be the possible reasons behind it? In case additional information is needed, please let me know. Thank you. With warm regards, Pranjal Aquest missatge, i els fitxers adjunts que hi pugui haver, pot contenir informació confidencial o protegida legalment i s’adreça exclusivament a la persona o entitat destinatària. Si no consteu com a destinatari final o no teniu l’encàrrec de rebre’l, no esteu autoritzat a llegir-lo, retenir-lo, modificar-lo, distribuir-lo, copiar-lo ni a revelar-ne el contingut. Si l’heu rebut per error, informeu-ne el remitent i elimineu del sistema tant el missatge com els fitxers adjunts que hi pugui haver. Este mensaje, y los ficheros adjuntos que pueda incluir, puede contener información confidencial o legalmente protegida y está exclusivamente dirigido a la persona o entidad destinataria. Si usted no consta como destinatario final ni es la persona encargada de recibirlo, no está autorizado a leerlo, retenerlo, modificarlo, distribuirlo o copiarlo, ni a revelar su contenido. Si lo ha recibido por error, informe de ello al remitente y elimine del sistema tanto el mensaje como los ficheros adjuntos que pueda contener. This email message and any attachments it carries may contain confidential or legally protected material and are intended solely for the individual or organization to whom they are addressed. If you are not the intended recipient of this message or the person responsible for processing it, then you are not authorized to read, save, modify, send, copy or disclose any part of it. If you have received the message by mistake, please inform the sender of this and eliminate the message and any attachments it carries from your account. ___ 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] Terminal closes automatically and the job terminates.
Dear Member, Hello. My WIEN2k version is 21.1 I am running a simulation on a supercell containing about 300 atoms which I expect to run for days (2 days maybe). Using 500 K points. However, even if I use the nohup command, the terminal automatically closes after an hour or so and the job also terminates abruptly. May I please know what could be the possible reasons behind it? In case additional information is needed, please let me know. Thank you. With warm regards, Pranjal Aquest missatge, i els fitxers adjunts que hi pugui haver, pot contenir informacio confidencial o protegida legalment i s’adreca exclusivament a la persona o entitat destinataria. Si no consteu com a destinatari final o no teniu l’encarrec de rebre’l, no esteu autoritzat a llegir-lo, retenir-lo, modificar-lo, distribuir-lo, copiar-lo ni a revelar-ne el contingut. Si l’heu rebut per error, informeu-ne el remitent i elimineu del sistema tant el missatge com els fitxers adjunts que hi pugui haver. Este mensaje, y los ficheros adjuntos que pueda incluir, puede contener informacion confidencial o legalmente protegida y esta exclusivamente dirigido a la persona o entidad destinataria. Si usted no consta como destinatario final ni es la persona encargada de recibirlo, no esta autorizado a leerlo, retenerlo, modificarlo, distribuirlo o copiarlo, ni a revelar su contenido. Si lo ha recibido por error, informe de ello al remitente y elimine del sistema tanto el mensaje como los ficheros adjuntos que pueda contener. This email message and any attachments it carries may contain confidential or legally protected material and are intended solely for the individual or organization to whom they are addressed. If you are not the intended recipient of this message or the person responsible for processing it, then you are not authorized to read, save, modify, send, copy or disclose any part of it. If you have received the message by mistake, please inform the sender of this and eliminate the message and any attachments it carries from your account. ___ 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
