On Wed, Nov 16, 2011 at 4:11 PM, xianqiang <xianqiang...@126.com> wrote:
> Hi, all > > I just restart a simulation with 'mpirun -np 8 mdrun -pd yes -s md_0_1.tpr > -cpi state.cpt -append' > > However, the following error appears: > > > Output file appending has been requested, > but some output files listed in the checkpoint file state.cpt > are not present or are named differently by the current program: > output files present: traj.xtc > output files not present or named differently: md_0_1.log md_0_1.edr > > ------------------------------------------------------- > Program mdrun, VERSION 4.5.3 > Source code file: ../../../gromacs-4.5.3/src/gmxlib/checkpoint.c, line: > 2139 > > Fatal error: > File appending requested, but only 1 of the 3 output files are present > For more information and tips for troubleshooting, please check the GROMACS > website at http://www.gromacs.org/Documentation/Errors > > > The two files which can not be found were located in the same directory > with 'traj.xtc', and why they can not be found by gromacs? > Maybe they are not readable? Can you look at the log file (e.g. using "less")? Roland > > Thanks and best regards, > Xianqiang > > > -- > Xianqiang Sun > > Email: xianqi...@theochem.kth.se > Division of Theoretical Chemistry and Biology > School of Biotechnology > Royal Institute of Technology > S-106 91 Stockholm, Sweden > > > -- ORNL/UT Center for Molecular Biophysics cmb.ornl.gov 865-241-1537, ORNL PO BOX 2008 MS6309
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