Did some more cleanups (4a429759) · Commits · 郑智淋 / lammps

lib/gpu/lal_device.cpp

+1 −1

Original line number	Diff line number	Diff line
		@@ -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");

lib/gpu/lal_device.h

+13 −11

Original line number	Diff line number	Diff line
		@@ -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<numtyp,acctyp> &a, const bool charge, const bool rot,
		int init(Answer<numtyp,acctyp> &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<numtyp,acctyp> &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
		@@ -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<numtyp,acctyp> 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;

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