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lines changed Original file line number Diff line number Diff line change @@ -81,9 +81,6 @@ int colvarmodule_gpu_calc::cvc_calc_total_force(
8181 error_code |= checkGPUError (cudaGraphLaunch (g.graph_exec , stream));
8282 if (error_code != COLVARS_OK) return error_code;
8383 }
84- #if defined (COLVARS_NVTX_PROFILING)
85- cvc_calc_total_force_prof.start ();
86- #endif // defined (COLVARS_NVTX_PROFILING)
8784 for (auto cvi = colvars.begin (); cvi != colvars.end (); cvi++) {
8885 // Calculate CVC total force
8986 if (!(*cvi)->is_enabled (colvardeps::f_cv_total_force_calc)) continue ;
@@ -97,7 +94,8 @@ int colvarmodule_gpu_calc::cvc_calc_total_force(
9794 }
9895 const auto all_cvcs = (*cvi)->get_cvcs ();
9996 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 ()) {
10199 (*cvc)->calc_force_invgrads ();
102100 }
103101 }
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