Hello,
Thank you for your help. With these changes and a few more, I was able to create a nwchem executable file. However, when trying to run it with the following command
nwchem n2
This is the output I get:
argument 1 = n2
Unable to open n2 --- appending .nw
------------------------------------------------------------------------
nwchem: failed to open the input file 0
------------------------------------------------------------------------
------------------------------------------------------------------------
current input line :
0:
------------------------------------------------------------------------
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at http://nwchemgit.github.io/index.ph
p/NWChem_Documentation
For further details see manual section:
0:nwchem: failed to open the input file:Received an Error in Communication
application called MPI_Abort(comm=0x84000000, -1) - process 0
I’ve tried running it as well with the following command:
mpiexec -np 1 ~/nwchem-6.6/bin/LINUX/nwchem n2
and nothing happens (the cursor stays on an empty command line and there are no messages being output).
Any suggestions as to what I can try next?
Thank you!
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