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--- configure 2020-12-02 12:41:14.529198213 +0300
+++ configure 2020-12-02 12:45:30.914220944 +0300
@@ -496,19 +496,19 @@
$arch_cc = "cc";
$arch_ccpp = "CC";
-$arch_nvcc = "/usr/local/cuda-10.2/bin/nvcc";
+$arch_nvcc = "nvcc";
$arch_nvccflags = "-lineinfo --ptxas-options=-v " .
- "-gencode arch=compute_30,code=compute_30 " .
- "-gencode arch=compute_30,code=sm_35 " .
- "-gencode arch=compute_30,code=sm_37 " .
- "-gencode arch=compute_50,code=compute_50 " .
+ "-gencode arch=compute_35,code=sm_35 " .
+ "-gencode arch=compute_35,code=sm_37 " .
"-gencode arch=compute_50,code=sm_50 " .
- "-gencode arch=compute_60,code=compute_60 " .
+ "-gencode arch=compute_52,code=sm_52 " .
"-gencode arch=compute_60,code=sm_60 " .
- "-gencode arch=compute_70,code=compute_70 " .
+ "-gencode arch=compute_61,code=sm_61 " .
"-gencode arch=compute_70,code=sm_70 " .
+ "-gencode arch=compute_75,code=sm_75 " .
+ "-gencode arch=compute_80,code=sm_80 " .
+ "-gencode arch=compute_86,code=sm_86 " .
"--ftz=true ";
-# "-gencode arch=compute_75,code=sm_75 " .
$arch_gcc = "gcc";
$arch_gccpp = "g++";
$arch_lex = "lex";
@@ -780,8 +780,8 @@
if ($config_tk) { $tcl_include .= " -I$stock_tk_include_dir"; }
$tcl_library = "-L$stock_tcl_library_dir";
if ($config_tk) { $tcl_library .= " -L$stock_tk_library_dir"; }
-$tcl_libs = "-ltcl8.5";
-if ($config_tk) { $tcl_libs = "-ltk8.5 -lX11 " . $tcl_libs; }
+$tcl_libs = "-ltcl";
+if ($config_tk) { $tcl_libs = "-ltk -lX11 " . $tcl_libs; }
@tcl_cc = ();
@tcl_cu = ();
@@ -909,13 +909,7 @@
$system_dir = "";
$system_include = "-I.";
$system_library = "";
-if ( $config_gcc ) {
- ## Note: some old commercial versions of Unix require -ll for lex internals
- ## now that we've been using flex for years, -ll should be moot.
- $system_libs = "-lm";
-} else {
- $system_libs = "-lm";
-}
+$system_libs = "-lrt -lm";
@system_cc = ();
@system_cu = ();
@system_ccpp = ();
@@ -971,7 +965,7 @@
# This option enables the use of CUDA GPU acceleration functions.
#######################
$cuda_defines = "-DVMDCUDA -DMSMPOT_CUDA";
-$cuda_dir = "/usr/local/cuda-10.2";
+$cuda_dir = "/opt/cuda";
$cuda_include = "";
$cuda_library = "";
$cuda_libs = "-Wl,-rpath -Wl,\$\$ORIGIN/ -lcudart_static -lrt";
@@ -1180,7 +1174,7 @@
# $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-5.0.1-linux64";
# $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-5.1.0-linux64";
# $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-6.0.0-linux64";
-$liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-6.5.0-linux64";
+$liboptix_dir = "/opt/optix";
# $liboptix_dir = "/usr/local/encap/NVIDIA-OptiX-SDK-7.0.0-linux64";
# NCSA Blue Waters
@@ -1246,7 +1240,7 @@
$libospray_dir = "/usr/local/ospray-1.8.5.x86_64.linux";
$libospray_include = "-I$libospray_dir/include -I$libospray_dir/ospray/include ";
$libospray_library = "-L$libospray_dir/lib ";
- $libospray_libs = "-lospray -lospray_common -lembree -ltbb -ltbbmalloc ";
+ $libospray_libs = "-lospray -lospray_common -lembree3 -ltbb -ltbbmalloc ";
}
@@ -1629,16 +1623,16 @@
$stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "$conda_root/lib/python-3.7/site-packages/numpy/core/include";
$python_libs = "-fno-lto -lpython3.7m -lpthread";
} else {
-# $stock_python_include_dir=$ENV{"PYTHON_INCLUDE_DIR"} || "/usr/local/include";
-# $stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} || "/usr/local/lib";
- $stock_python_include_dir=$ENV{"PYTHON_INCLUDE_DIR"} || "$vmd_library_dir/python/lib_$config_arch/include/python2.5";
- $stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} || "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/config";
-
-# $stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "/usr/local/include";
-# $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "/usr/local/lib";
- $stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "$vmd_library_dir/numpy/lib_$config_arch/include";
- $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/site-packages/numpy/core/include";
- $python_libs = "-lpython2.5 -lpthread";
+ $stock_python_include_dir=$ENV{"PYTHON_INCLUDE_DIR"} || "/usr/include/python3.9";
+ $stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} || "/usr/lib/python3.9/config-3.9-x86_64-linux-gnu";
+# $stock_python_include_dir=$ENV{"PYTHON_INCLUDE_DIR"} || "$vmd_library_dir/python/lib_$config_arch/include/python2.5";
+# $stock_python_library_dir=$ENV{"PYTHON_LIBRARY_DIR"} || "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/config";
+
+ $stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "/usr/lib/python3.9/site-packages/numpy/core/include/numpy";
+ $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "/usr/lib/python3.9/site-packages/numpy/core/include";
+# $stock_numpy_include_dir=$ENV{"NUMPY_INCLUDE_DIR"} || "$vmd_library_dir/numpy/lib_$config_arch/include";
+# $stock_numpy_library_dir=$ENV{"NUMPY_LIBRARY_DIR"} || "$vmd_library_dir/python/lib_$config_arch/lib/python2.5/site-packages/numpy/core/include";
+ $python_libs = "-lpython3.9 -lpthread";
}
$python_defines = "-DVMDPYTHON";
@@ -2538,9 +2532,9 @@
# for compiling with g++:
$arch_cc = "gcc";
$arch_ccpp = "g++";
- $arch_opt_flag = "-m64 -fno-for-scope -Wno-deprecated -Wall -Wno-unknown-pragmas -O6 -ffast-math";
+ $arch_opt_flag = "-Ofast -march=native";
$arch_depend_flag = "-MM";
- $arch_copts = "-m64 -Wall -Wno-unknown-pragmas -O6 -ffast-math";
+ $arch_copts = "-Ofast -march=native";
# so far only STATIC version tested
if ($config_static) {
@@ -2552,7 +2546,7 @@
if ($config_cuda) {
$arch_nvccflags .= " --machine 64 -O3 $cuda_include";
- $cuda_library = "-L/usr/local/cuda-10.2/lib64";
+ $cuda_library = "-L/opt/cuda/lib64";
}
$arch_lex = "flex"; # has problems with vendor lex
@@ -2590,7 +2584,7 @@
$arch_nvcc = "/usr/local/cuda/bin/nvcc";
$arch_nvccflags = "--ptxas-options=-v " .
- "-gencode arch=compute_30,code=compute_30 " .
+ "-gencode arch=compute_35,code=compute_35 " .
"-gencode arch=compute_70,code=compute_70 " .
"--ftz=true ";
$cuda_library = "-L/usr/local/cuda/lib64";
@@ -2614,11 +2608,7 @@
$arch_nvcc = "/usr/local/cuda-5.5/bin/nvcc";
$arch_nvccflags = "--ptxas-options=-v " .
- "-gencode arch=compute_20,code=sm_20 " .
- "-gencode arch=compute_30,code=sm_30 " .
"-gencode arch=compute_35,code=sm_35 " .
- "-gencode arch=compute_20,code=compute_20 " .
- "-gencode arch=compute_30,code=compute_30 " .
"--ftz=true ";
$cuda_library = "-L/usr/local/cuda/lib";
$arch_cc = "cc";
@@ -2952,7 +2942,7 @@
# Only generate code for SM 7.0 on Summit
$arch_nvccflags = "--ptxas-options=-v " .
- "-gencode arch=compute_30,code=compute_30 " .
+ "-gencode arch=compute_35,code=compute_35 " .
"-gencode arch=compute_70,code=sm_70 " .
"--ftz=true ";
$arch_nvccflags .= " --machine 64 -O3 $cuda_include";
@@ -3623,7 +3613,7 @@
.cu.ptx:
\$(ECHO) "Compiling " \$< " --> " \$*.ptx " ..."; \\
- \$(NVCC) \$(DEFINES) --use_fast_math $liboptix_include -gencode arch=compute_30,code=compute_30 -ptx \$< $arch_coptout$vmd_arch_dir/\$\@
+ \$(NVCC) \$(DEFINES) --use_fast_math $liboptix_include -gencode arch=compute_35,code=compute_35 -ptx \$< $arch_coptout$vmd_arch_dir/\$\@
.y.o:
|