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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8701 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-08-23 13:09:47 +00:00
parent 7ebff3faf6
commit 81ec0e96e1
12 changed files with 86 additions and 163 deletions
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16
lib/colvars/colvarbias_meta.cpp
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@ -1072,8 +1072,12 @@ void colvarbias_meta::read_replica_files()
}
} else {
cvm::fatal_error ("Error: cannot read from file \""+
(replicas[ir])->replica_hills_file+"\".\n");
cvm::log ("Failed to read the file \""+(replicas[ir])->replica_hills_file+
"\": will try again in "+
cvm::to_str (replica_update_freq)+" steps.\n");
(replicas[ir])->update_status++;
// cvm::fatal_error ("Error: cannot read from file \""+
// (replicas[ir])->replica_hills_file+"\".\n");
}
is.close();
}
@ -1081,12 +1085,12 @@ void colvarbias_meta::read_replica_files()
size_t const n_flush = (replica_update_freq/new_hill_freq + 1);
if ((replicas[ir])->update_status > 3*n_flush) {
// TODO: suspend the calculation?
cvm::log ("Warning: in metadynamics bias \""+this->name+"\""+
": failet do read completely output files from replica \""+
cvm::log ("WARNING: in metadynamics bias \""+this->name+"\""+
" failed to read completely the output of replica \""+
(replicas[ir])->replica_id+
"\" after more than "+
cvm::to_str (n_flush*new_hill_freq)+
" steps. Please check that that simulation is still running.\n");
cvm::to_str ((replicas[ir])->update_status * replica_update_freq)+
" steps. Ensure that it is still running.\n");
}
}
}