From: Cezary Czaplewski <czarek@chem.univ.gda.pl>
Date: Wed, 3 Apr 2019 12:39:17 +0000 (+0200)
Subject: ctest gfortran UNRES_M_multi_min
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=72c50a820fae7fc2c9dff7fca1a7e5f634fa846a

ctest gfortran UNRES_M_multi_min
---

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