Hi all users, I have successfully installed gromacs-3.3.3 with fftw-3.1.2 in a LINUX cluster x86_64 machines with both enable-mpi option and without it. But after compilation in each of the two cases (with and without mpi) when I ran make tests following errors/failed messages result for all the simple and complex tests. Can anybody help me? Part of the on-screen messages are as follows:
No topol.tpr file in angles1. grompp failed FAILED. Check files in angles1 No topol.tpr file in angles125. grompp failed FAILED. Check files in angles125 No topol.tpr file in bham. grompp failed FAILED. Check files in bham No topol.tpr file in bonds1. grompp failed ........... Sincerely Niharendu Choudhury ************************************************************************* * * * Dr. Niharendu Choudhury Tel: 91-22-2559 5089 * * Theoretical Chemistry Section, Fax: 91-22-2550 5151 * * RC & CD Division, Chemistry Group, 91-22-2551-9613 * * Mod. Lab, Email: [EMAIL PROTECTED] * * Trombay, Mumbai-400 085 * * INDIA * * * * Residence Tel. No. 91-22-2552 7832 * ************************************************************************* ------------------------------------------------- _______________________________________________ gmx-users mailing list [email protected] http://www.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
