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51 lines
1.5 KiB
Plaintext
51 lines
1.5 KiB
Plaintext
# IT4Innovations
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# LK 2024
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name = 'NVHPC'
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version = '24.1'
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versionsuffix = '-CUDA-%(cudaver)s'
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homepage = 'https://developer.nvidia.com/hpc-sdk/'
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description = """C, C++ and Fortran compilers included with the NVIDIA HPC SDK (previously: PGI)"""
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toolchain = SYSTEM
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local_tarball_tmpl = 'nvhpc_2024_%%(version_major)s%%(version_minor)s_Linux_%s_cuda_multi.tar.gz'
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# By downloading, you accept the HPC SDK Software License Agreement
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# https://docs.nvidia.com/hpc-sdk/eula/index.html
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# accept_eula = True
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source_urls = ['https://developer.download.nvidia.com/hpc-sdk/%(version)s/']
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sources = [local_tarball_tmpl % '%(arch)s']
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checksums = [
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{
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local_tarball_tmpl % 'aarch64':
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'8c2ce561d5901a03eadce7f07dce5fbc55e8e88c87b74cf60e01e2eca231c41c',
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local_tarball_tmpl % 'ppc64le':
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'e7330eb35e23dcd9b0b3bedc67c0d5443c4fd76b59caa894a76ecb0d17f71f43',
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local_tarball_tmpl % 'x86_64':
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'27992e5fd56af8738501830daddc5e9510ebd553326fea8730236fee4f0f1dd8',
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}
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]
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local_gccver = '13.2.0'
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dependencies = [
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('GCCcore', local_gccver),
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('binutils', '2.40', '', ('GCCcore', local_gccver)),
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# This is necessary to avoid cases where just libnuma.so.1 is present in the system and -lnuma fails
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('numactl', '2.0.16', '', ('GCCcore', local_gccver)),
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('CUDA', '12.3.0', '', SYSTEM),
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]
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module_add_cuda = False
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default_cuda_version = '%(cudaver)s'
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import os
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if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
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cuda_compute_capabilities = "8.0"
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else:
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cuda_compute_capabilities = "7.0"
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moduleclass = 'compiler'
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