Dear gromacs users, After configuring and installing gromacs, I tested it using 'make tests'. Got the following errors.
*** glibc detected *** realloc(): invalid next size: 0x08255310 *** sh: line 1: 7535 Aborted (core dumped) mdrun >mdrun.out 2>&1 FAILED. Check files in rb1 1 out of 16 simple tests FAILED I checked the simple/rb1 directory for the .out files. I could not quite see the problem described in those. Seems like it's related to 'allowing a memory location that has already been freed to be used again'. Among the files I checked (checkptr.out, grompp.out, mdrun.out), the closest thing to a warning seemed to be gcq#288: "I Feel a Great Disturbance in the Force" (The Emperor Strikes Back) in grompp.out :-) is there anything in the script file (gmxtest.pl), I need to fix? ----------------------------------------------------------------------------- FAILED. Check files in dec+water FAILED. Check files in nacl FAILED. Check files in tip4p 3 out of 14 complex tests FAILED As for the errors with complex tests, I had 3 of those. I checked the checkpot.out files. Only in one case (dec+water) were the LJ numbers close to zero (thus justifying the 'error due to numerical accuracy in adding up many interactions' on wiki). In other 2 cases, the deviations in LJ and coloumb energies were not small. for example LJ (SR) step 50: 14440.2, step 50: 13501.5 Coulomb (SR) step 50: -90740.2, step 50: -84154.3 Not sure if I can simply ignore these. Any suggestions? Once again, thanks in advance for your help. Have a nice day. Regards, Ramdas Pophale. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org 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