diff --git a/3_oxView/2_equilibration/bash.run.sh b/3_oxView/2_equilibration/bash.run.sh index 936ccda64ad949cc28f5d49ece7cfc4525a5e65f..4795c59ca41d8e05d6207d4b794b3bd33ad870f9 100755 --- a/3_oxView/2_equilibration/bash.run.sh +++ b/3_oxView/2_equilibration/bash.run.sh @@ -1,7 +1,10 @@ #!/bin/bash +#Current working directory variable +cwd=`pwd` #Location of the LAMMPS executables -LAMMPSparallel="/Disk/ds-sopa-personal/ygutier2/SoftwareMD/lammps-29Sep2021/exec/lmp_mpi_29Sep2021" +LAMMPS="${cwd}/../../lmp_serial_29Sept2021" +LAMMPSparallel="${cwd}/../../lmp_mpi_29Sept2021" #Name of the lammps script to run lscript="oxDNA.commands" @@ -30,4 +33,4 @@ cwd=`pwd` echo "variable seed equal ${r1}" > parameters.dat echo "variable seed1 equal ${r2}" >> parameters.dat - mpirun -np ${ncpu} ${LAMMPSparallel} -in ${lscript} + mpirun -np ${ncpu} ${LAMMPSparallel} -in ${lscript} \ No newline at end of file