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dpd and dpd/tsat may only run with 1 thread due to use of per-thread pRNG

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This commit is contained in:
Axel Kohlmeyer
2021-03-01 21:45:36 -05:00
parent 6fa3e6d23e
commit fb57d86364
1 changed files with 6 additions and 0 deletions
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6
unittest/force-styles/test_pair_style.cpp
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@ -606,6 +606,9 @@ TEST(PairStyle, omp)
const char *args[] = {"PairStyle", "-log", "none", "-echo", "screen", "-nocite",
"-pk", "omp", "4", "-sf", "omp"};
// cannot run dpd styles with more than 1 thread due to using multiple pRNGs
if (utils::strmatch(test_config.pair_style, "^dpd")) args[8] = "1";
char **argv = (char **)args;
int argc = sizeof(args) / sizeof(char *);
@ -904,6 +907,9 @@ TEST(PairStyle, intel)
"-pk", "intel", "0", "mode", "double", "omp",
"4", "lrt", "no", "-sf", "intel"};
// cannot use more than 1 thread for dpd styles due to pRNG
if (utils::strmatch(test_config.pair_style, "^dpd")) args[12] = "1";
char **argv = (char **)args;
int argc = sizeof(args) / sizeof(char *);