From 72c50a820fae7fc2c9dff7fca1a7e5f634fa846a Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Wed, 3 Apr 2019 14:39:17 +0200 Subject: [PATCH] ctest gfortran UNRES_M_multi_min --- ctest/prota_unres_energy_check_mult.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/ctest/prota_unres_energy_check_mult.sh b/ctest/prota_unres_energy_check_mult.sh index bc61564..be06f68 100755 --- a/ctest/prota_unres_energy_check_mult.sh +++ b/ctest/prota_unres_energy_check_mult.sh @@ -151,7 +151,7 @@ elif [ "$1" == "1DKZcut-lang" ]; then elif [ "$1" == "1DKZcut-min" ]; then extremediff="10.0" # extreme energy difference, comething went terribly wrong expectenergy="323.6931" # - expected total energy - cutoffdiff="6.0" # energy cutoff variation - more then this rises warning + cutoffdiff="8.0" # energy cutoff variation - more then this rises warning sumsl_return=`grep SUMSL $file|awk '{print $4}'` echo 'SUMSL return code' $sumsl_return -- 1.7.9.5