Commit 68975270 authored by Fabrice Allain's avatar Fabrice Allain
Browse files

Added host_executable option in config file

parent ea0d92df
......@@ -84,6 +84,7 @@ nd_alpha: 1.0
runid: 1
cpus: 100
host_command: sbatch --cores-per-socket=10 -o /baycells/home/fallain/slurm.errors
host_executable: /baycells/home/bardiaux/bin/cns1.21_aria_logn_linux_x86_64_intel.exe
temp_root: data/examples/out/setup
parameter_definition: automatic
ss_dist_format: tbl
......
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......@@ -37,7 +37,7 @@
<md_parameters dynamics="torsion" random_seed="${md_parameters_random_seed}" tad_temp_high="10000.0" tad_timestep_factor="9.0" cartesian_temp_high="2000.0" cartesian_first_iteration="0" timestep="0.003" temp_cool1_final="1000.0" temp_cool2_final="50.0" steps_high="${md_parameters_steps_high}" steps_refine="4000" steps_cool1="${md_parameters_steps_cool1}" steps_cool2="${md_parameters_steps_cool2}"/>
</cns>
<job_manager default_command="csh -f">
<host enabled="yes" command="${host_command}" executable="/baycells/home/bardiaux/bin/cns1.21_aria_logn_linux_x86_64_intel.exe" n_cpu="${n_cpus}" use_absolute_path="yes"/>
<host enabled="yes" command="${host_command}" executable="${host_executable}" n_cpu="${n_cpus}" use_absolute_path="yes"/>
</job_manager>
</structure_generation>
<protocol floating_assignment="yes">
......
......@@ -37,7 +37,7 @@
<md_parameters dynamics="torsion" random_seed="${md_parameters_random_seed}" tad_temp_high="10000.0" tad_timestep_factor="9.0" cartesian_temp_high="2000.0" cartesian_first_iteration="0" timestep="0.003" temp_cool1_final="1000.0" temp_cool2_final="50.0" steps_high="${md_parameters_steps_high}" steps_refine="4000" steps_cool1="${md_parameters_steps_cool1}" steps_cool2="${md_parameters_steps_cool2}"/>
</cns>
<job_manager default_command="csh -f">
<host enabled="yes" command="${host_command}" executable="/baycells/home/bardiaux/bin/cns1.21_aria_logn_linux_x86_64_intel.exe" n_cpu="${n_cpus}" use_absolute_path="yes"/>
<host enabled="yes" command="${host_command}" executable="${host_executable}" n_cpu="${n_cpus}" use_absolute_path="yes"/>
</job_manager>
</structure_generation>
<protocol floating_assignment="yes">
......
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