From 2ad83022eee1fe7125622316e7c0f09d03f9fa9c Mon Sep 17 00:00:00 2001 From: Giovanni Bussi <giovanni.bussi@gmail.com> Date: Wed, 21 Mar 2018 09:40:53 +0100 Subject: [PATCH] Fix regtest See #245 --- regtest/basic/rt-drift-2/config | 2 +- regtest/basic/rt-drift-3/config | 2 +- regtest/basic/rt-maxent-4/config | 2 +- regtest/basic/rt-maxent-5/config | 2 +- regtest/basic/rt-mpi10/config | 2 +- 5 files changed, 5 insertions(+), 5 deletions(-) diff --git a/regtest/basic/rt-drift-2/config b/regtest/basic/rt-drift-2/config index 83e7371bb..386f20a9a 100644 --- a/regtest/basic/rt-drift-2/config +++ b/regtest/basic/rt-drift-2/config @@ -1,5 +1,5 @@ mpiprocs=4 type=driver # this is to test a different name -arg="--plumed plumed.dat --timestep=0.005 --initial-step=1 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --debug-dd" +arg="--plumed plumed.dat --timestep=0.005 --initial-step=1 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --debug-dd yes" diff --git a/regtest/basic/rt-drift-3/config b/regtest/basic/rt-drift-3/config index c39bca256..224b2c767 100644 --- a/regtest/basic/rt-drift-3/config +++ b/regtest/basic/rt-drift-3/config @@ -1,5 +1,5 @@ mpiprocs=4 type=driver # this is to test a different name -arg="--plumed plumed.dat --timestep=0.005 --initial-step=1 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --debug-pd" +arg="--plumed plumed.dat --timestep=0.005 --initial-step=1 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --debug-pd yes" diff --git a/regtest/basic/rt-maxent-4/config b/regtest/basic/rt-maxent-4/config index 2dacd25cd..fd58a854e 100644 --- a/regtest/basic/rt-maxent-4/config +++ b/regtest/basic/rt-maxent-4/config @@ -1,4 +1,4 @@ mpiprocs=6 type=driver plumed_needs="matheval" -arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%8.4f --debug-dd" +arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --dump-forces-fmt=%8.4f --debug-dd yes" diff --git a/regtest/basic/rt-maxent-5/config b/regtest/basic/rt-maxent-5/config index 3d1aed0c1..3be12dee6 100644 --- a/regtest/basic/rt-maxent-5/config +++ b/regtest/basic/rt-maxent-5/config @@ -1,4 +1,4 @@ mpiprocs=6 type=driver plumed_needs="matheval" -arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --multi 3 --dump-forces-fmt=%8.4f --debug-dd" +arg="--plumed plumed.dat --mf_xtc traj.xtc --dump-forces forces --multi 3 --dump-forces-fmt=%8.4f --debug-dd yes" diff --git a/regtest/basic/rt-mpi10/config b/regtest/basic/rt-mpi10/config index 76dfdc6b1..9790c05f5 100644 --- a/regtest/basic/rt-mpi10/config +++ b/regtest/basic/rt-mpi10/config @@ -1,3 +1,3 @@ mpiprocs=6 type=driver -arg="--plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --multi 3 --debug-dd --debug-grex 6 --debug-grex-log log.grex --initial-step 3" +arg="--plumed=plumed.dat --timestep=0.05 --ixyz trajectory.xyz --dump-forces ff --pdb test.pdb --multi 3 --debug-dd yes --debug-grex 6 --debug-grex-log log.grex --initial-step 3" -- GitLab