Loading doc/src/Python_mpi.rst +1 −1 Original line number Diff line number Diff line Loading @@ -66,7 +66,7 @@ and see one line of output for each processor you run on. insure both are using the same version of MPI. If you only have one MPI installed on your system, this is not an issue, but it can be if you have multiple MPIs. Your LAMMPS build is explicit about which MPI it is using, since you specify the details in your lo-level it is using, since you specify the details in your low-level src/MAKE/Makefile.foo file. Mpi4py uses the "mpicc" command to find information about the MPI it uses to build against. And it tries to load "libmpi.so" from the LD\_LIBRARY\_PATH. This may or may not find Loading doc/src/kspace_style.rst +2 −2 Original line number Diff line number Diff line Loading @@ -229,7 +229,7 @@ parameters and how to choose them is described in All of the PPPM styles can be used with single-precision FFTs by using the compiler switch -DFFT\_SINGLE for the FFT\_INC setting in your lo-level Makefile. This setting also changes some of the PPPM low-level Makefile. This setting also changes some of the PPPM operations (e.g. mapping charge to mesh and interpolating electric fields to particles) to be performed in single precision. This option can speed-up long-range calculations, particularly in parallel or on Loading Loading @@ -397,7 +397,7 @@ produce the same results, except for round-off and precision issues. More specifically, the *pppm/gpu* style performs charge assignment and force interpolation calculations on the GPU. These processes are performed either in single or double precision, depending on whether the -DFFT\_SINGLE setting was specified in your lo-level Makefile, as the -DFFT\_SINGLE setting was specified in your low-level Makefile, as discussed above. The FFTs themselves are still calculated on the CPU. If *pppm/gpu* is used with a GPU-enabled pair style, part of the PPPM calculation can be performed concurrently on the GPU while other Loading Loading
doc/src/Python_mpi.rst +1 −1 Original line number Diff line number Diff line Loading @@ -66,7 +66,7 @@ and see one line of output for each processor you run on. insure both are using the same version of MPI. If you only have one MPI installed on your system, this is not an issue, but it can be if you have multiple MPIs. Your LAMMPS build is explicit about which MPI it is using, since you specify the details in your lo-level it is using, since you specify the details in your low-level src/MAKE/Makefile.foo file. Mpi4py uses the "mpicc" command to find information about the MPI it uses to build against. And it tries to load "libmpi.so" from the LD\_LIBRARY\_PATH. This may or may not find Loading
doc/src/kspace_style.rst +2 −2 Original line number Diff line number Diff line Loading @@ -229,7 +229,7 @@ parameters and how to choose them is described in All of the PPPM styles can be used with single-precision FFTs by using the compiler switch -DFFT\_SINGLE for the FFT\_INC setting in your lo-level Makefile. This setting also changes some of the PPPM low-level Makefile. This setting also changes some of the PPPM operations (e.g. mapping charge to mesh and interpolating electric fields to particles) to be performed in single precision. This option can speed-up long-range calculations, particularly in parallel or on Loading Loading @@ -397,7 +397,7 @@ produce the same results, except for round-off and precision issues. More specifically, the *pppm/gpu* style performs charge assignment and force interpolation calculations on the GPU. These processes are performed either in single or double precision, depending on whether the -DFFT\_SINGLE setting was specified in your lo-level Makefile, as the -DFFT\_SINGLE setting was specified in your low-level Makefile, as discussed above. The FFTs themselves are still calculated on the CPU. If *pppm/gpu* is used with a GPU-enabled pair style, part of the PPPM calculation can be performed concurrently on the GPU while other Loading
