diff --git a/lib/gpu/lal_device.cpp b/lib/gpu/lal_device.cpp index 3b7f393056..5534d32e5f 100644 --- a/lib/gpu/lal_device.cpp +++ b/lib/gpu/lal_device.cpp @@ -634,7 +634,7 @@ void DeviceT::output_kspace_times(UCL_Timer &time_in, if (screen && times[6]>0.0) { fprintf(screen,"\n\n-------------------------------------"); fprintf(screen,"--------------------------------\n"); - fprintf(screen," Device Time Info (average): "); + fprintf(screen," Device Time Info (average) for kspace: "); fprintf(screen,"\n-------------------------------------"); fprintf(screen,"--------------------------------\n"); diff --git a/lib/gpu/lal_device.h b/lib/gpu/lal_device.h index 4287967210..0c4d5f8c43 100644 --- a/lib/gpu/lal_device.h +++ b/lib/gpu/lal_device.h @@ -57,8 +57,9 @@ class Device { /** \param charge True if charges need to be stored * \param rot True if quaternions need to be stored * \param nlocal Total number of local particles to allocate memory for - * \param host_nlocal Initial number of host particles to allocate memory for * \param nall Total number of local+ghost particles + * \param maxspecial Maximum mumber of special bonded atoms per atom + * \param vel True if velocities need to be stored * * Returns: * - 0 if successfull @@ -66,7 +67,7 @@ class Device { * - -3 if there is an out of memory error * - -4 if the GPU library was not compiled for GPU * - -5 Double precision is not supported on card **/ - int init(Answer &a, const bool charge, const bool rot, + int init(Answer &ans, const bool charge, const bool rot, const int nlocal, const int nall, const int maxspecial, const bool vel=false); @@ -82,12 +83,13 @@ class Device { * - -5 Double precision is not supported on card **/ int init(Answer &ans, const int nlocal, const int nall); - /// Initialize neighbor list storage and build + /// Initialize the neighbor list storage /** \param charge True if charges need to be stored * \param rot True if quaternions need to be stored * \param nlocal Total number of local particles to allocate memory for * \param host_nlocal Initial number of host particles to allocate memory for * \param nall Total number of local+ghost particles + * \param maxspecial Maximum mumber of special bonded atoms per atom * \param gpu_host 0 if host will not perform force calculations, * 1 if gpu_nbor is true, and host needs a half nbor list, * 2 if gpu_nbor is true, and host needs a full nbor list @@ -104,10 +106,10 @@ class Device { * - -4 if the GPU library was not compiled for GPU * - -5 Double precision is not supported on card **/ int init_nbor(Neighbor *nbor, const int nlocal, - const int host_nlocal, const int nall, - const int maxspecial, const int gpu_host, - const int max_nbors, const double cell_size, - const bool pre_cut, const int threads_per_atom); + const int host_nlocal, const int nall, + const int maxspecial, const int gpu_host, + const int max_nbors, const double cell_size, + const bool pre_cut, const int threads_per_atom); /// Output a message for pair_style acceleration with device stats void init_message(FILE *screen, const char *name, @@ -191,7 +193,7 @@ class Device { /// Return host memory usage in bytes double host_memory_usage() const; - /// Return the number of procs sharing a device (size of device commincator) + /// Return the number of procs sharing a device (size of device communicator) inline int procs_per_gpu() const { return _procs_per_gpu; } /// Return the number of threads per proc inline int num_threads() const { return _nthreads; } @@ -278,12 +280,12 @@ class Device { /// Atom Data Atom atom; - // --------------------------- NBOR DATA ---------------------------- + // --------------------------- NBOR SHARED KERNELS ---------------- - /// Neighbor Data + /// Shared kernels for neighbor lists NeighborShared _neighbor_shared; - // ------------------------ LONG RANGE DATA ------------------------- + // ------------------------ LONG RANGE DATA ----------------------- // Long Range Data int _long_range_precompute;