running cp2k
ABU YAYA
raka... at gmail.com
Thu Jul 28 13:56:17 UTC 2016
Am trying to run cp2k on my desktop and i keep getting this message
below, any help.
abu at abu-OptiPlex-7010:~/AbuCP2K$ cp2k.popt 'mpirun -n 2 -i <bromine.inp> -o
<bromine.out> &'
********************************************
*** ERROR in open_file (MODULE cp_files) ***
********************************************
*** The specified OLD file <mpirun -n 2 -i <bromine.inp> -o <bromine.out>
***
*** &> cannot be opened. It does not exist.
***
*** Program stopped at line number 399 of MODULE cp_files ***
===== Routine Calling Stack =====
1 read_input
CP2K| Abnormal program termination, stopped by process number 0
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 0 in communicator MPI_COMM_WORLD
with errorcode 1.
NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.
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