From 521e06b767724e13834e46ab81cd2ed45e2c63ec Mon Sep 17 00:00:00 2001 From: Giovanni Bussi <giovanni.bussi@gmail.com> Date: Wed, 29 Jan 2020 15:59:22 +0100 Subject: [PATCH] Fixed regtest failing for numerical errors on new clang compilers --- regtest/basic/rt-maxent-1/colvar.reference | 22 +++++++++++----------- regtest/basic/rt-maxent-1/plumed.dat | 2 +- regtest/basic/rt-maxent-2/colvar.reference | 22 +++++++++++----------- regtest/basic/rt-maxent-2/plumed.dat | 2 +- 4 files changed, 24 insertions(+), 24 deletions(-) diff --git a/regtest/basic/rt-maxent-1/colvar.reference b/regtest/basic/rt-maxent-1/colvar.reference index 3d448e518..8ebbcf11b 100644 --- a/regtest/basic/rt-maxent-1/colvar.reference +++ b/regtest/basic/rt-maxent-1/colvar.reference @@ -1,12 +1,12 @@ #! FIELDS time j1 j2 j3 j4 j5 j6 j7 - 0.000000 10.5935 3.9915 1.1185 4.5355 0.4759 3.2683 2.4940 - 10.000000 0.4341 5.2427 8.2510 2.6140 2.1636 1.4050 3.0609 - 20.000000 8.7739 5.8798 0.5531 2.5260 0.8015 5.7921 3.2281 - 30.000000 11.0298 4.5288 0.8065 1.9460 2.2785 5.6556 3.8554 - 40.000000 11.4096 5.5963 1.2854 6.4978 0.8623 5.7078 3.9404 - 50.000000 10.8848 7.5652 7.4284 1.8964 2.4459 0.1991 0.4854 - 60.000000 9.9558 6.5077 3.3126 2.0712 1.0280 5.8000 3.9920 - 70.000000 10.8136 6.7461 1.5468 2.8648 0.8674 5.4530 3.7263 - 80.000000 9.1018 4.9667 2.8858 1.8865 1.2836 5.3631 3.9995 - 90.000000 3.4876 7.4668 8.8033 2.4603 1.1766 5.2204 3.9656 - 100.000000 3.5324 4.8932 11.4783 2.0514 2.2295 5.3712 3.8787 + 0.000000 10.593 3.991 1.119 4.535 0.476 3.268 2.494 + 10.000000 0.434 5.243 8.251 2.614 2.164 1.405 3.061 + 20.000000 8.774 5.880 0.553 2.526 0.801 5.792 3.228 + 30.000000 11.030 4.529 0.807 1.946 2.278 5.656 3.855 + 40.000000 11.410 5.596 1.285 6.498 0.862 5.708 3.940 + 50.000000 10.885 7.565 7.428 1.896 2.446 0.199 0.485 + 60.000000 9.956 6.508 3.313 2.071 1.028 5.800 3.992 + 70.000000 10.814 6.746 1.547 2.865 0.867 5.453 3.726 + 80.000000 9.102 4.967 2.886 1.887 1.284 5.363 4.000 + 90.000000 3.488 7.467 8.803 2.460 1.177 5.220 3.966 + 100.000000 3.532 4.893 11.478 2.051 2.229 5.371 3.879 diff --git a/regtest/basic/rt-maxent-1/plumed.dat b/regtest/basic/rt-maxent-1/plumed.dat index ed7014ae6..836798acd 100644 --- a/regtest/basic/rt-maxent-1/plumed.dat +++ b/regtest/basic/rt-maxent-1/plumed.dat @@ -51,5 +51,5 @@ TEMP=300 PRINT ... ARG=j1,j2,j3,j4,j5,j6,j7 STRIDE=10 FILE=colvar -FMT=%8.4f +FMT=%8.3f ... PRINT diff --git a/regtest/basic/rt-maxent-2/colvar.reference b/regtest/basic/rt-maxent-2/colvar.reference index 81f81a324..42dc4f440 100644 --- a/regtest/basic/rt-maxent-2/colvar.reference +++ b/regtest/basic/rt-maxent-2/colvar.reference @@ -11,14 +11,14 @@ 90.000000 3.487607 7.466811 8.803344 2.460335 1.176599 5.220447 3.965647 100.000000 3.532403 4.893175 11.478312 2.051419 2.229474 5.371195 3.878713 #! FIELDS time j1 j2 j3 j4 j5 j6 j7 - 0.000000 10.5935 3.9915 1.1185 4.5355 0.4759 3.2683 2.4940 - 10.000000 0.4341 5.2427 8.2510 2.6140 2.1636 1.4050 3.0609 - 20.000000 8.7739 5.8798 0.5531 2.5260 0.8015 5.7921 3.2281 - 30.000000 11.0298 4.5288 0.8065 1.9460 2.2785 5.6556 3.8554 - 40.000000 11.4096 5.5963 1.2854 6.4978 0.8623 5.7078 3.9404 - 50.000000 10.8848 7.5652 7.4284 1.8964 2.4459 0.1991 0.4854 - 60.000000 9.9558 6.5077 3.3126 2.0712 1.0280 5.8000 3.9920 - 70.000000 10.8136 6.7461 1.5468 2.8648 0.8674 5.4530 3.7263 - 80.000000 9.1018 4.9667 2.8858 1.8865 1.2836 5.3631 3.9995 - 90.000000 3.4876 7.4668 8.8033 2.4603 1.1766 5.2204 3.9656 - 100.000000 3.5324 4.8932 11.4783 2.0514 2.2295 5.3712 3.8787 + 0.000000 10.593 3.991 1.119 4.535 0.476 3.268 2.494 + 10.000000 0.434 5.243 8.251 2.614 2.164 1.405 3.061 + 20.000000 8.774 5.880 0.553 2.526 0.801 5.792 3.228 + 30.000000 11.030 4.529 0.807 1.946 2.278 5.656 3.855 + 40.000000 11.410 5.596 1.285 6.498 0.862 5.708 3.940 + 50.000000 10.885 7.565 7.428 1.896 2.446 0.199 0.485 + 60.000000 9.956 6.508 3.313 2.071 1.028 5.800 3.992 + 70.000000 10.814 6.746 1.547 2.865 0.867 5.453 3.726 + 80.000000 9.102 4.967 2.886 1.887 1.284 5.363 4.000 + 90.000000 3.488 7.467 8.803 2.460 1.177 5.220 3.966 + 100.000000 3.532 4.893 11.478 2.051 2.229 5.371 3.879 diff --git a/regtest/basic/rt-maxent-2/plumed.dat b/regtest/basic/rt-maxent-2/plumed.dat index 573d3ab44..0ef43080c 100644 --- a/regtest/basic/rt-maxent-2/plumed.dat +++ b/regtest/basic/rt-maxent-2/plumed.dat @@ -52,5 +52,5 @@ TEMP=300 PRINT ... ARG=j1,j2,j3,j4,j5,j6,j7 STRIDE=10 FILE=colvar -FMT=%8.4f +FMT=%8.3f ... PRINT -- GitLab