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fix: fix the typos in previous rebase
1 parent 89b058b commit 80bd6e3

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src/colvar_gpu_calc.cpp

Lines changed: 2 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -81,9 +81,6 @@ int colvarmodule_gpu_calc::cvc_calc_total_force(
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error_code |= checkGPUError(cudaGraphLaunch(g.graph_exec, stream));
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if (error_code != COLVARS_OK) return error_code;
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}
84-
#if defined (COLVARS_NVTX_PROFILING)
85-
cvc_calc_total_force_prof.start();
86-
#endif // defined (COLVARS_NVTX_PROFILING)
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for (auto cvi = colvars.begin(); cvi != colvars.end(); cvi++) {
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// Calculate CVC total force
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if (!(*cvi)->is_enabled(colvardeps::f_cv_total_force_calc)) continue;
@@ -97,7 +94,8 @@ int colvarmodule_gpu_calc::cvc_calc_total_force(
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}
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const auto all_cvcs = (*cvi)->get_cvcs();
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for (auto cvc = all_cvcs.begin(); cvc != all_cvcs.end(); ++cvc) {
100-
if ((*cvc)->is_enabled(colvardeps::f_cvc_active)) {
97+
if (!(*cvc)->is_enabled(colvardeps::f_cvc_active)) continue;
98+
if (!(*cvc)->has_gpu_implementation()) {
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(*cvc)->calc_force_invgrads();
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}
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}

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