> I made a .tpr file for my md run without any problems (using the bottom > mdp file). My job submission script is also the same thing I used for > other jobs which had no problems. But now when I submit this .tpr file, > only an empty log file is generated! The qstat of the cluster shows that > the job is running, also the processors are 100% engaged while I have no > outputs!
A standard guess: what about trying to run the single-processor job on the same cluster? Does it run OK? -- Vitaly V. Chaban, Ph.D. (ABD) School of Chemistry V.N. Karazin Kharkiv National University Svoboda sq.,4, Kharkiv 61077, Ukraine email: [email protected],[email protected] skype: vvchaban, cell.: +38-097-8259698 http://www-rmn.univer.kharkov.ua/chaban.html =================================== !!! Looking for a postdoctoral position !!! =================================== _______________________________________________ gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
