Firefly and PC GAMESS-related discussion club

 
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Alex Granovsky
gran@classic.chem.msu.su

>when i use the command mpirun -np 2 firefly8  -i xx.inp -o out.log,the error is BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
>EXIT CODE:1
>CLEANING UP REMAINING PROCESSES
>YOU CAN IGNORE THE BELOW CLEANUP MESSAGES

What is the MPI implementation you are using?
Is the mpirun you are using a part of MPICH2 installation?
Is this MPI installation 32-bit?

What is the output of "which mpirun"

What is the contents of the out.log file?

There is no such an option "-nthread".
The correct one is "-nthreads" but it does not have anything
in common with parallel execution, just with Firefly's tuning.
The same is true for the similar "-ncores"  option.

>or when i run the comand : firefly8 -i xx.inp -nthread 2 -o out.log, the error is  ON MASTER NODE, ERROR CODE IS: 0*00000040
>  Unable to create/chdir to temportary working directory

As option "-nthread" is unknown to Firefly, it tries to interpret
this argument as a path to working directory.  

Kind regards,
Alex Granovsky