PME spline+spread CUDA kernel and unit tests

[alexxy/gromacs.git] / src / gromacs / ewald / tests / pmesolvetest.cpp

diff --git a/src/gromacs/ewald/tests/pmesolvetest.cpp b/src/gromacs/ewald/tests/pmesolvetest.cpp
index c5c3b8ea1d2ae5175e49b8cf8dcda05c0b6cdc54..0163781a4d3a8c7294ea442efb70036000276044 100644 (file)
--- a/src/gromacs/ewald/tests/pmesolvetest.cpp
+++ b/src/gromacs/ewald/tests/pmesolvetest.cpp
@@ -128,7 +128,7 @@ class PmeSolveTest : public ::testing::TestWithParam<SolveInputParameters>
                                                   ));
 
                         /* Running the test */
-                        PmeSafePointer pmeSafe = pmeInitEmpty(&inputRec, box, ewaldCoeff_q, ewaldCoeff_lj);
+                        PmeSafePointer pmeSafe = pmeInitEmpty(&inputRec, mode.first, nullptr, box, ewaldCoeff_q, ewaldCoeff_lj);
                         pmeSetComplexGrid(pmeSafe.get(), mode.first, gridOrdering.first, nonZeroGridValues);
                         const real     cellVolume = box[0] * box[4] * box[8];
                         //FIXME - this is box[XX][XX] * box[YY][YY] * box[ZZ][ZZ], should be stored in the PME structure