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? 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
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