<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Hi gromacs users,</div><div><br></div><div> I'm running a simulation but I keep getting the following errors.</div><div><br></div><div>rogram mdrun_mpi, VERSION 4.5.1<br>Source code file: gmxfio.c, line: 537<br><br>Can not open file:<br>taExcited.tpr<br>For more information and tips for troubleshooting, please check the GROMACS<br>website at http://www.gromacs.org/Documentation/Errors<br>-------------------------------------------------------<br><br>"That Was Cool" (Beavis and Butthead)<br><br>Error on node 0, will try to stop all the nodes<br>Halting parallel program mdrun_mpi on CPU 0 out of 4<br>--------------------------------------------------------------------------<br>MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD <br>with errorcode -1.<br><br>NOTE: invoking MPI_ABORT causes Open MPI to kill all
MPI processes.<br>You may or may not see output from other processes, depending on<br>exactly when Open MPI kills them.<br>--------------------------------------------------------------------------<br><br>gcq#182: "That Was Cool" (Beavis and Butthead)<br><br>--------------------------------------------------------------------------<br>mpirun has exited due to process rank 0 with PID 9680 on<br>node compute-0-10 exiting without calling "finalize". This may<br>have caused other processes in the application to be<br>terminated by signals sent by mpirun (as reported here).<br></div><div><br></div><div> I don't know why gromacs cannot find my taExcited.tpr file, since it does exist in my working directory. However I noticed that when gromacs makes copies of my log files, its putting it in my home directory. This leads me to believe that it must be looking into the wrong path. This problem is only recent since gromacs knows where to looking when i
reference my other working files, such as when i run grompp, but mdrun does not want to open up my .tpr file. Any ideas?</div><div><br></div><div>Thanks,</div><div><br></div><div>Taylor Kaplan<br></div></div></body></html>