diff options
Diffstat (limited to 'sci-chemistry/ambertools/files/ambertools-15-update.6.patch')
| -rw-r--r-- | sci-chemistry/ambertools/files/ambertools-15-update.6.patch | 59 |
1 files changed, 59 insertions, 0 deletions
diff --git a/sci-chemistry/ambertools/files/ambertools-15-update.6.patch b/sci-chemistry/ambertools/files/ambertools-15-update.6.patch new file mode 100644 index 000000000..d7df551f5 --- /dev/null +++ b/sci-chemistry/ambertools/files/ambertools-15-update.6.patch @@ -0,0 +1,59 @@ +********> update.6 + +Author: Charles Lin + +Date: November 10, 2015 + +Programs: pmemd.cuda + +Description: This update gives support to cuda 7.5 and optional support for 7.0 (it is recommended to run cuda 6.5 or 7.5) + +-------------------------------------------------------- + + AmberTools/src/configure2 | 31 ++++++++++++++++++++++++++++++- + 1 file changed, 30 insertions(+), 1 deletion(-) + +diff --git AmberTools/src/configure2 AmberTools/src/configure2 +index 9a504b1..6835c9c 100755 +--- AmberTools/src/configure2 ++++ AmberTools/src/configure2 +@@ -865,9 +865,38 @@ if [ "$cuda_SPFP" = 'yes' -o "$cuda_SPXP" = 'yes' -o "$cuda_DPFP" = 'yes' ]; the + echo "CUDA Version $cudaversion detected" + echo "Configuring for SM2.0, SM3.0 and SM5.0" + nvccflags="$sm20flags $sm30flags $sm50flags" ++ elif [ "$cudaversion" = "7.0" ]; then ++ printf "\n" ++ printf "Version 7.0 of the NVIDIA CUDA compiler has been detected.\n\ ++Support for version 7.0 has been deprecated and we recommend use\n\ ++of either 7.5 or 6.5 instead. Version 7.0 introduced a performance\n\ ++regression over earlier compilers and also a bug in the way that GPUs are\n\ ++selected based on whether they are in use or not. This bug causes AMBER to\n\ ++print a GPU selection error rather than auto selecting a free GPU. These\n\ ++issues do not effect v6.5 and have been addressed in version 7.5." ++ printf "\n" ++ printf "If you still want to proceed with v7.0 on the\n\ ++understanding that it is considered deprecated from a support process please type\n\ ++'yes' to proceed. Otherwise type 'no', switch to either 6.5 or 7.5\n\ ++and rerun configure." ++ printf "\n" ++ read answer ++ ans=`echo $answer | awk '{print substr($1,1,1)}'` ++ ++ if [ "$ans" = "y" -o "$ans" = "Y" ]; then ++ echo "Configuring for SM2.0, SM3.0 and SM5.0" ++ nvccflags="$sm20flags $sm30flags $sm50flags" ++ else ++ echo "Please set cuda version to 6.5 or 7.5!" ++ exit 1 ++ fi ++ elif [ "$cudaversion" = "7.5" ]; then ++ echo "CUDA Version $cudaversion detected" ++ echo "Configuring for SM2.0, SM3.0, SM5.0 and SM5.2" ++ nvccflags="$sm20flags $sm30flags $sm50flags $sm52flags" + else + echo "Error: Unsupported CUDA version $cudaversion detected." +- echo " AMBER requires CUDA version == 5.0 .or. 5.5 .or. 6.0 .or. 6.5 .or. 7.0" ++ echo " AMBER requires CUDA version == 5.0 .or. 5.5 .or. 6.0 .or. 6.5 .or. 7.5" + exit 1 + fi + nvcc="$nvcc $nvccflags" |