Re: Parallel installation

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Posted by Markus on February 09, 2018 at 16:30:10:

In Reply to: Parallel installation posted by Andreas on September 24, 2015 at 16:48:58:

you need to run the configure script with the '-packages' option and recompile. I had to type 'make' a couple of times before 'parnell.exe' was built.

: Hello

: I have tried to install MOLCAS in a parallel environment. However, when I try to run a program, it gives the following error in the log file:

: "Warning! A command /com/OpenMPI/1.8.5/intel/bin/mpirun -np 2 /home/nyvang/molcas-v8.1.15-02-25//bin/parnell.exe base /scratch/626628.in1 1>&2 returns errorcode 132

: EMIL input error"

: When I go look for the parnell.exe file, there is none...

: What did I do wrong, and how can I fix it?

: Sincerely
: Andreas

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if B is 1s22s22p1, what is Li?



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