Which keyword let qmmm freq.nw restart?

Click here for full thread

Forum Vet

11:14:04 AM PST - Tue, Jan 8th 2019

Not sure how this QA test was run. The proper way is by using the runtests.mpi.unix command


cd $NWCHEM_TOP/QA
./runtests.mpi.unix qmmm_freq
 
 Running tests/qmmm_freq/qmmm_freq 
 
     cleaning scratch
     copying input and verified output files
     running nwchem (/home/edo/park/nwchem-6.8.1/bin/LINUX64/nwchem)
 
15.1u 10.5s 0:12.80 200.4% (0t+0ds+0avg+41742max)k 18136i+851152o 79pf 0swaps
     verifying output ... OK
 
OK