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Bugfix from Trung for running EAM on GPUs with OpenCL.

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This commit is contained in:
Axel Kohlmeyer
2025-05-30 16:41:44 -04:00
parent 68ce9c8a6f
commit 7bed09c25a
1 changed files with 2 additions and 2 deletions
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4
lib/gpu/lal_eam.cpp
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@ -61,7 +61,7 @@ int EAMT::init(const int ntypes, double host_cutforcesq, int **host_type2rhor,
if (onetype>0)
onetype=-1;
else if (onetype==0)
onetype=i*max_shared_types+i;
onetype=i;
}
if (onetype<0) onetype=0;
#endif
@ -109,7 +109,7 @@ int EAMT::init(const int ntypes, double host_cutforcesq, int **host_type2rhor,
int lj_types=ntypes;
shared_types=false;
if (lj_types<=max_shared_types && this->_block_size>=max_shared_types) {
if (lj_types<=max_shared_types && this->_block_size>=max_shared_types*max_shared_types) {
lj_types=max_shared_types;
shared_types=true;
}