Dear David van der Spoel, Yes, you are absolutely right. Now it works.
But there are two FAILED cases, namely, FAILED. Check files in acetonitrilRF FAILED. Check files in dec+water How to fix these two? Nihar Quoting David van der Spoel <[EMAIL PROTECTED]>: > Dr. Niharendu Choudhury wrote: > > 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 > > ........... > > Most likely grompp is not in your search path. Check grompp.out in the > subdirectories. > > > > > > 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 > > > -- > David van der Spoel, Ph.D. > Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University. > Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755. > [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se > _______________________________________________ > 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 > ************************************************************************* * * * 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
