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iRASPA / RASPA2

Classical molecular simulation code
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Unable to run RASPA2 simulation #37

Open silabrata opened 2 years ago

silabrata commented 2 years ago

I have installed RASPA2. However, on trying to run the sample simulation with the run shell script I am having the error

"error while loading shared libraries: libraspa2.so.0: cannot open shared object file: No such file or directory"

RASPA is installed in the the RASPA/simulation directory in home. When I checked the lib directory of the RASPA/simulation it has the following files: libraspa2.a libraspa2.la libraspa2.so libraspa2.so.0 libraspa2.so.0.0.0

I am new to RASPA2 and I do not have any idea to resolve this issue. I have attached the txt versions of the run.txt simulation.input.txt run.sh and simulation.input file I am using.

salrodgom commented 1 year ago

Hello @silabrata, Try using the run scripts in the example folders. I think this one should work.

#! /bin/sh -f
export RASPA_DIR=${HOME}/RASPA/simulations/
export DYLD_LIBRARY_PATH=${RASPA_DIR}/lib
export LD_LIBRARY_PATH=${RASPA_DIR}/lib
$RASPA_DIR/bin/simulate $1