Hi, I'm trying to run a simulation with 4.5.3 (double precision) on bluegene. I get this error:
> NOTE: Turning on dynamic load balancing > > vol 0.35! imb F 54% pme/F 2.06 step 100, remaining runtime: 3 s > vol 0.33! imb F 48% pme/F 2.09 step 200, remaining runtime: 2 s > vol 0.35! imb F 28% pme/F 2.42 step 300, remaining runtime: 1 s > vol 0.34! imb F 26% pme/F 2.46 step 400, remaining runtime: 0 s > > ------------------------------------------------------- > Program mdrun_mpi_bg_d, VERSION 4.5.3 > Source code file: domdec.c, line: 3581 > > Fatal error: > Step 490: The X-size (0.799998) times the triclinic skew factor (1.000000) is > smaller than the smallest allowed cell size (0.800000) for domain > decomposition grid cell 4 2 2 > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > ------------------------------------------------------- > > "Everything's formed from particles" (Van der Graaf Generator) > > Error on node 188, will try to stop all the nodes > Halting parallel program mdrun_mpi_bg_d on CPU 188 out of 256 > Can anybody give me some hint about that? Thanks in advance, Fabio -- ********************************************* Fabio Affinito, PhD CINECA SuperComputing Applications and Innovation Department - SCAI Via Magnanelli, 6/3 40033 Casalecchio di Reno (Bologna) ITALY +39/051/6171794 (Phone) -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
