version 1.22 | version 1.23 |
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double recips[] = {recipx, recipy, recipz}; | double recips[] = {recipx, recipy, recipz}; |
int NPARTS=CmiMyNodeSize(); //this controls the granularity of loop parallelism | int NPARTS=CmiMyNodeSize(); //this controls the granularity of loop parallelism |
| int maxParts = ( K1 * ( k2_end - k2_start ) * ( k3_end - k3_start ) + 127 ) / 128; |
| if ( NPARTS > maxParts ) NPARTS = maxParts; |
if ( NPARTS > K1 ) NPARTS = K1; | if ( NPARTS > K1 ) NPARTS = K1; |
ALLOCA(double, partialEnergy, NPARTS); | ALLOCA(double, partialEnergy, NPARTS); |
ALLOCA(double, partialVirial, 6*NPARTS); | ALLOCA(double, partialVirial, 6*NPARTS); |