diff --git a/tests/RefinementTest.cpp b/tests/RefinementTest.cpp index ace1d7659..926aa3254 100644 --- a/tests/RefinementTest.cpp +++ b/tests/RefinementTest.cpp @@ -305,9 +305,11 @@ TEST_CASE("RefinementRestraints_gradient", "[Refinement]") { #ifdef JFJOCH_USE_CUDA if (get_gpu_count() > 0) { // the GPU's float evaluation of the same set - std::vector merged = asu_reflections(cell, *st.find_spacegroup(), 3.0); - RefinementReflections refl = PrepareRefinementReflections(merged, cell, *st.find_spacegroup(), 3.0); - auto gpu = MakeRefinementEngineGPU(0, cell, *st.find_spacegroup(), 3.0, refl, st.models[0], 100.0, SIZE_MAX); + // (the engine is made for a cell wide enough for its gather; the restraints do not read the cell) + const gemmi::UnitCell wide_cell(40, 40, 40, 90, 90, 90); + std::vector merged = asu_reflections(wide_cell, *st.find_spacegroup(), 3.0); + RefinementReflections refl = PrepareRefinementReflections(merged, wide_cell, *st.find_spacegroup(), 3.0); + auto gpu = MakeRefinementEngineGPU(0, wide_cell, *st.find_spacegroup(), 3.0, refl, st.models[0], 100.0, SIZE_MAX); REQUIRE(gpu); gpu->SetRestraints(0, set); std::vector> ggpu;