2012/12/2 ms <[email protected]>: > Hi, thanks for your help. Here is the result of what came out: > > > On 28/11/12 19:16, Christoph Junghans wrote: >> >> 2012/11/28 ms <[email protected]>: >>> >>> On 28/11/12 01:49, Christoph Junghans wrote: >>>> >>>> >>>> 2012/11/24 ms <[email protected]>: >>> >>> >>> [snip] >>> >>>> It is hard to derive what went wrong, but you could try: >>>> - run mdrun on 1 core only > > > Apparently works We have tested the mpi support in some early version. Maybe you will have to use thread-mpi for now.
We are working on re-enabling AdresS: https://gerrit.gromacs.org/#/c/1744/ (you will need to sign up to see the change set) > > >>>> - run the same simulation with adress=no on 8 cores > Segfaults > >>>> - export GMX_NB_GENERIC=1 > Segfaults So it seems this version is somehow broken. > > >>> >>> Will try. Do you confirm that my installation procedure / git revision >>> are >>> correct? >> >> Looks ok, but make sure that there is nothing modified in the work >> directory (use git status). > > > massimo@francy:~/gromacs/gromacs-4.6git/gromacs$ git status > # Not currently on any branch. > # Untracked files: > # (use "git add <file>..." to include in what will be committed) > # > # build-single-5ba7/ > # exec-single-5ba7/ > nothing added to commit but untracked files present (use "git add" to track) > > > > >>> >>> thanks! >>> Massimo >>> >>> >>> -- >>> Massimo Sandal, Ph.D. >>> http://devicerandom.org >>> >>> -- >>> You received this message because you are subscribed to the Google Groups >>> "votca" group. >>> To post to this group, send email to [email protected]. >>> To unsubscribe from this group, send email to >>> [email protected]. >>> For more options, visit this group at >>> http://groups.google.com/group/votca?hl=en. >>> >> >> >> >> -- >> Christoph Junghans >> Web: http://www.compphys.de >> > > > -- > Massimo Sandal, Ph.D. > http://devicerandom.org > > -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To post to this group, send email to [email protected]. > To unsubscribe from this group, send email to > [email protected]. > For more options, visit this group at > http://groups.google.com/group/votca?hl=en. > -- Christoph Junghans Web: http://www.compphys.de -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
