X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fmdlib%2Fsim_util.cpp;h=a2ccaed47b15b75440558e9d7ad4f433f519a765;hb=c088e63019ebc68760d35c3bc916015864aa8e89;hp=241cc3b9fc3036f0267a7439981ce462c65aa328;hpb=f59f6ec6e04f4a3732876c2c76250b8444fdcb69;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/mdlib/sim_util.cpp b/src/gromacs/mdlib/sim_util.cpp index 241cc3b9fc..a2ccaed47b 100644 --- a/src/gromacs/mdlib/sim_util.cpp +++ b/src/gromacs/mdlib/sim_util.cpp @@ -54,6 +54,7 @@ #include "gromacs/domdec/partition.h" #include "gromacs/essentialdynamics/edsam.h" #include "gromacs/ewald/pme.h" +#include "gromacs/ewald/pme_coordinate_receiver_gpu.h" #include "gromacs/ewald/pme_pp.h" #include "gromacs/ewald/pme_pp_comm_gpu.h" #include "gromacs/gmxlib/network.h" @@ -746,7 +747,10 @@ static inline void launchPmeGpuSpread(gmx_pme_t* pmedata, gmx_wallcycle* wcycle) { pme_gpu_prepare_computation(pmedata, box, wcycle, stepWork); - pme_gpu_launch_spread(pmedata, xReadyOnDevice, wcycle, lambdaQ); + bool useGpuDirectComm = false; + gmx::PmeCoordinateReceiverGpu* pmeCoordinateReceiverGpu = nullptr; + pme_gpu_launch_spread( + pmedata, xReadyOnDevice, wcycle, lambdaQ, useGpuDirectComm, pmeCoordinateReceiverGpu); } /*! \brief Launch the FFT and gather stages of PME GPU