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| author | a.kudelin | 2020-11-06 16:26:10 +0300 |
|---|---|---|
| committer | a.kudelin | 2020-11-06 16:26:10 +0300 |
| commit | a54bc244a459aacb4ba1736906e518645dd22ed9 (patch) | |
| tree | 0ea1650868c4fc25343862b91f25db790492a28b | |
| parent | 13422489ac6a975b6848bfe9400477e6a5a0f73c (diff) | |
| download | aur-a54bc244a459aacb4ba1736906e518645dd22ed9.tar.gz | |
Fixed flags, added CUDA architectures
| -rw-r--r-- | .SRCINFO | 10 | ||||
| -rw-r--r-- | PKGBUILD | 10 | ||||
| -rw-r--r-- | basic.psmp | 2 | ||||
| -rw-r--r-- | cuda.psmp | 6 | ||||
| -rw-r--r-- | cuda_plumed.psmp | 7 | ||||
| -rw-r--r-- | plumed.psmp | 2 |
6 files changed, 22 insertions, 15 deletions
@@ -1,7 +1,7 @@ pkgbase = cp2k pkgdesc = A quantum chemistry and solid state physics software package pkgver = 7.1.0 - pkgrel = 4 + pkgrel = 5 url = https://www.cp2k.org arch = x86_64 license = GPL2 @@ -30,10 +30,10 @@ pkgbase = cp2k source = lapack.patch sha256sums = e244f76d7e1e98da7e4e4b2e6cefb723fa1205cfae4f94739413be74952e8b4e sha256sums = 1e283a3b9ce90bda321d77f4fa611b09a7eaad167d7bc579b2e9311f7b97b5ec - sha256sums = f1e92ff252a3ee814b63111928dfdda9f9d1fd2e18a3de7a0a3e8d3629628a44 - sha256sums = 8e130a0cd75a66efc9bd8765cf3b8e081611e8f45d1f0851d3d8e8a76d93f78c - sha256sums = ac1ffe638743453234e447c6996e9c0786d67efbd4c9e3ee95142eacb45d2ad1 - sha256sums = 70af5b75ef78a27ff996867dddcedd8d265ac2609cb2a0304ff45100f854af2b + sha256sums = 7fcc5d8d743361ac41d8e2118ad2f162de5d8274018fd8f10d115db0a07d7ff4 + sha256sums = 7534ad85434cae17b7b79b1aeb5a25dbb912b6307040e0b3d3ff5e35f81e9327 + sha256sums = 4d642cc08f16dc57bc9f9815b128ec5bc70bad72d5f394296492d224d78b5bdc + sha256sums = b895cabd59e5429ec5763290ce02923fc04afb7e2167ed9bcc973c6da9981545 sha256sums = f566a9941f27c9d55c528acf0aacbb8ed686067777ce48f1e206432d259ee8a1 pkgname = cp2k @@ -4,7 +4,7 @@ pkgname=cp2k pkgver=7.1.0 _dbcsrver=2.0.1 -pkgrel=4 +pkgrel=5 # NVIDIA GPU Generation: Kepler, Pascal, or Volta; # please specify one closest to yours or leave unchanged # if CUDA isn't supposed to be used @@ -29,10 +29,10 @@ source=("https://github.com/cp2k/cp2k/archive/v$pkgver.tar.gz" "lapack.patch") sha256sums=('e244f76d7e1e98da7e4e4b2e6cefb723fa1205cfae4f94739413be74952e8b4e' '1e283a3b9ce90bda321d77f4fa611b09a7eaad167d7bc579b2e9311f7b97b5ec' - 'f1e92ff252a3ee814b63111928dfdda9f9d1fd2e18a3de7a0a3e8d3629628a44' - '8e130a0cd75a66efc9bd8765cf3b8e081611e8f45d1f0851d3d8e8a76d93f78c' - 'ac1ffe638743453234e447c6996e9c0786d67efbd4c9e3ee95142eacb45d2ad1' - '70af5b75ef78a27ff996867dddcedd8d265ac2609cb2a0304ff45100f854af2b' + '7fcc5d8d743361ac41d8e2118ad2f162de5d8274018fd8f10d115db0a07d7ff4' + '7534ad85434cae17b7b79b1aeb5a25dbb912b6307040e0b3d3ff5e35f81e9327' + '4d642cc08f16dc57bc9f9815b128ec5bc70bad72d5f394296492d224d78b5bdc' + 'b895cabd59e5429ec5763290ce02923fc04afb7e2167ed9bcc973c6da9981545' 'f566a9941f27c9d55c528acf0aacbb8ed686067777ce48f1e206432d259ee8a1') prepare() { diff --git a/basic.psmp b/basic.psmp index c9cf595bce4f..775e0655a628 100644 --- a/basic.psmp +++ b/basic.psmp @@ -18,7 +18,7 @@ INCS = -I/usr/include \ -I/usr/include/elpa_openmp-$(_elpaver)/elpa \ -I/usr/include/elpa_openmp-$(_elpaver)/modules -OPTFLAGS = -O2 -march=native -fopenmp +OPTFLAGS = -O3 -march=native -fopenmp CFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) CXXFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -std=c++11 diff --git a/cuda.psmp b/cuda.psmp index 6e9754e124b5..229fd2d0a490 100644 --- a/cuda.psmp +++ b/cuda.psmp @@ -32,14 +32,18 @@ FCFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) \ -ffree-form -ffree-line-length-none \ -fallow-argument-mismatch \ -fno-tree-loop-vectorize + NVFLAGS = $(DFLAGS) -O3 -Xcompiler="-fopenmp" \ -gencode arch=compute_35,code=sm_35 \ -gencode arch=compute_37,code=sm_37 \ -gencode arch=compute_50,code=sm_50 \ + -gencode arch=compute_52,code=sm_52 \ -gencode arch=compute_60,code=sm_60 \ -gencode arch=compute_61,code=sm_61 \ -gencode arch=compute_70,code=sm_70 \ - -gencode arch=compute_75,code=sm_75 + -gencode arch=compute_75,code=sm_75 \ + -gencode arch=compute_80,code=sm_80 \ + -gencode arch=compute_86,code=sm_86 LDFLAGS = $(FCFLAGS) diff --git a/cuda_plumed.psmp b/cuda_plumed.psmp index 31a036ec791e..2f53e759ed92 100644 --- a/cuda_plumed.psmp +++ b/cuda_plumed.psmp @@ -24,7 +24,7 @@ INCS = -I/usr/include \ -I/usr/include/elpa_openmp-$(_elpaver)/modules \ -I/opt/cuda/include -OPTFLAGS = -O2 -march=native -fopenmp +OPTFLAGS = -O3 -march=native -fopenmp CFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) CXXFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -std=c++11 @@ -37,10 +37,13 @@ NVFLAGS = $(DFLAGS) -O3 -Xcompiler="-fopenmp" \ -gencode arch=compute_35,code=sm_35 \ -gencode arch=compute_37,code=sm_37 \ -gencode arch=compute_50,code=sm_50 \ + -gencode arch=compute_52,code=sm_52 \ -gencode arch=compute_60,code=sm_60 \ -gencode arch=compute_61,code=sm_61 \ -gencode arch=compute_70,code=sm_70 \ - -gencode arch=compute_75,code=sm_75 + -gencode arch=compute_75,code=sm_75 \ + -gencode arch=compute_80,code=sm_80 \ + -gencode arch=compute_86,code=sm_86 LDFLAGS = $(FCFLAGS) diff --git a/plumed.psmp b/plumed.psmp index 9e8a1ea4bc96..3233d43e8ec8 100644 --- a/plumed.psmp +++ b/plumed.psmp @@ -19,7 +19,7 @@ INCS = -I/usr/include \ -I/usr/include/elpa_openmp-$(_elpaver)/elpa \ -I/usr/include/elpa_openmp-$(_elpaver)/modules -OPTFLAGS = -O2 -march=native -fopenmp +OPTFLAGS = -O3 -march=native -fopenmp CFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) CXXFLAGS = $(DFLAGS) $(INCS) $(OPTFLAGS) -std=c++11 |