#!/bin/csh -f #TEST-PROGRAM nmode #TEST-DESCRIP find normal and Langevin modes #TEST-PURPOSE regression, basic #TEST-STATE ok echo " " echo NMODE: find normal modes ../../bin/nmode -O \ -i nmode_3.in \ -c nmode_0.rst \ -p parm.top \ -v vecs \ -o vibs.out || goto error ../dacdif vibs.out.save vibs.out # degenerate eigenvectors might not be the same on all machines, so # following test needs some work to be portable: # ../dacdif vecs.save vecs echo " " echo NMODE: find Langevin modes ../../bin/nmode -O \ -i lmode.in \ -c nmode_0.rst \ -p parm.top \ -l lmode \ -o lvibs.out || goto error ../dacdif lvibs.out.save lvibs.out head -74 lmode > lmode.head ../dacdif lmode.head.save lmode.head /bin/rm -f lmode echo " " exit(0) error: echo " ${0}: Program error" echo " " exit(1)