Check q perturbation when PME on GPU is tested

[alexxy/gromacs.git] / src / gromacs / taskassignment / resourcedivision.cpp

diff --git a/src/gromacs/taskassignment/resourcedivision.cpp b/src/gromacs/taskassignment/resourcedivision.cpp
index 7ef15ed2a190cd8512da4ff16546ac55a01ea7ba..bd3090152bdd91063a7a4a429b7507a445866b08 100644 (file)
--- a/src/gromacs/taskassignment/resourcedivision.cpp
+++ b/src/gromacs/taskassignment/resourcedivision.cpp
@@ -361,7 +361,7 @@ int get_nthreads_mpi(const gmx_hw_info_t    *hwinfo,
     if (pmeOnGpu)
     {
         GMX_RELEASE_ASSERT((EEL_PME(inputrec->coulombtype) || EVDW_PME(inputrec->vdwtype)) &&
-                           pme_gpu_supports_build(nullptr) && pme_gpu_supports_input(inputrec, nullptr),
+                           pme_gpu_supports_build(nullptr) && pme_gpu_supports_input(*inputrec, *mtop, nullptr),
                            "PME can't be on GPUs unless we are using PME");
 
         // PME on GPUs supports a single PME rank with PP running on the same or few other ranks.