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Commit e002faec authored by Gareth Aneurin  Tribello's avatar Gareth Aneurin Tribello
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Fixed bug in parallel implementation of field metadynamics

parent 11cc9aea
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...@@ -93,9 +93,18 @@ FieldBias::FieldBias(const ActionOptions&ao): ...@@ -93,9 +93,18 @@ FieldBias::FieldBias(const ActionOptions&ao):
blocks[0]=0; blocks[0]=0;
for(unsigned i=1;i<blocks.size();++i){ for(unsigned i=1;i<blocks.size();++i){
for(unsigned j=0;j<i;++j) blocks[i]+=blocks[j]; blocks[i]=blocks[i-1];
if( i<=nrem ) blocks[i]+=nn + 1; if( blocks[i]<bias->getSize() ){
else blocks[i]+=nn; if( i<=nrem ) blocks[i]+=nn + 1;
else blocks[i]+=nn;
} else {
warning("number of integration points is less than number of nodes so some nodes are idle : consider running in serial");
}
}
if(!serial){
for(unsigned i=0;i<stride;++i){
log.printf(" node %d is doing integration of %d points\n",i,blocks[i+1]-blocks[i]);
}
} }
plumed_assert( blocks[blocks.size()-1]==bias->getSize() ); plumed_assert( blocks[blocks.size()-1]==bias->getSize() );
......
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