Merge /home/ndtrung/Codes/lammps-git into eam-gpu

2021-03-29 13:33:31 -05:00
parent d5c3e1786a 47b7653d4d
commit 7662cfe28d
451 changed files with 113953 additions and 95227 deletions
--- a/lib/gpu/Makefile.cuda
+++ b/lib/gpu/Makefile.cuda
@ -29,7 +29,8 @@ LIB_DIR = ./
 AR = ar
 BSH = /bin/sh

-CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini
+# GPU binning not recommended for modern GPUs
+CUDPP_OPT = # -DUSE_CUDPP -Icudpp_mini
 CUDA_MPS  =

 # device code compiler and settings
--- a/lib/gpu/Makefile.linux
+++ b/lib/gpu/Makefile.linux
@ -70,7 +70,8 @@ LIB_DIR = ./
 AR = ar
 BSH = /bin/sh

-CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini
+# GPU binning not recommended with modern GPUs
+CUDPP_OPT = #-DUSE_CUDPP -Icudpp_mini

 include Nvidia.makefile

--- a/lib/gpu/Makefile.linux_multi
+++ b/lib/gpu/Makefile.linux_multi
@ -77,7 +77,8 @@ LIB_DIR = ./
 AR = ar
 BSH = /bin/sh

-CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini
+# GPU binning not recommended with modern GPUs
+CUDPP_OPT = #-DUSE_CUDPP -Icudpp_mini

 include Nvidia.makefile_multi

--- a/lib/gpu/Makefile.serial
+++ b/lib/gpu/Makefile.serial
@ -66,7 +66,8 @@ LIB_DIR = ./
 AR = ar
 BSH = /bin/sh

-CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini
+# GPU binning not recommended for most modern GPUs
+CUDPP_OPT = #-DUSE_CUDPP -Icudpp_mini

 include Nvidia.makefile

--- a/lib/gpu/Makefile.turing
+++ b/lib/gpu/Makefile.turing
@ -16,6 +16,7 @@ LIB_DIR = .
 AR = ar
 BSH = /bin/sh

+# GPU binning not recommended with most modern GPUs
 CUDPP_OPT = #-DUSE_CUDPP -Icudpp_mini

 include Nvidia.makefile
--- a/lib/gpu/geryon/nvd_device.h
+++ b/lib/gpu/geryon/nvd_device.h
@ -24,6 +24,10 @@
 #ifndef NVD_DEVICE
 #define NVD_DEVICE

+// workaround after GPU package Feb2021 update
+// todo: make new neighbor code work with CUDA
+#define LAL_USE_OLD_NEIGHBOR
+
 #include <string>
 #include <vector>
 #include <iostream>