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clean up fugaku files and gromacs builds with gcc now with minor spac… #161

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merged 1 commit into from
Mar 7, 2024
Merged

clean up fugaku files and gromacs builds with gcc now with minor spac… #161

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119 changes: 27 additions & 92 deletions configs/RCCS-Fugaku-Fujitsu-A64FX-TofuD/auxiliary_software_files/compilers.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -4,25 +4,6 @@
# SPDX-License-Identifier: Apache-2.0

compilers:
- compiler:
spec: [email protected]
modules: []
paths:
cc: /opt/FJSVxtclanga/tcsds-1.2.38/bin/fcc
cxx: /opt/FJSVxtclanga/tcsds-1.2.38/bin/FCC
f77: /opt/FJSVxtclanga/tcsds-1.2.38/bin/frt
fc: /opt/FJSVxtclanga/tcsds-1.2.38/bin/frt
flags: {}
operating_system: rhel8
target: aarch64
environment:
set:
fcc_ENV: -Nclang
FCC_ENV: -Nclang
prepend_path:
PATH: /opt/FJSVxtclanga/tcsds-1.2.38/bin
LD_LIBRARY_PATH: /opt/FJSVxtclanga/tcsds-1.2.38/lib64
extra_rpaths: []
- compiler:
spec: [email protected]
modules: []
Expand All @@ -43,83 +24,27 @@ compilers:
LD_LIBRARY_PATH: /opt/FJSVxtclanga/tcsds-1.2.36/lib64
extra_rpaths: []
- compiler:
spec: [email protected]
modules: []
paths:
cc: /opt/FJSVxtclanga/tcsds-1.2.35/bin/fcc
cxx: /opt/FJSVxtclanga/tcsds-1.2.35/bin/FCC
f77: /opt/FJSVxtclanga/tcsds-1.2.35/bin/frt
fc: /opt/FJSVxtclanga/tcsds-1.2.35/bin/frt
flags: {}
operating_system: rhel8
target: aarch64
environment:
set:
fcc_ENV: -Nclang
FCC_ENV: -Nclang
prepend_path:
PATH: /opt/FJSVxtclanga/tcsds-1.2.35/bin
LD_LIBRARY_PATH: /opt/FJSVxtclanga/tcsds-1.2.35/lib64
extra_rpaths: []
- compiler:
spec: [email protected]
modules: []
spec: [email protected]
paths:
cc: /opt/FJSVxtclanga/tcsds-1.2.34/bin/fcc
cxx: /opt/FJSVxtclanga/tcsds-1.2.34/bin/FCC
f77: /opt/FJSVxtclanga/tcsds-1.2.34/bin/frt
fc: /opt/FJSVxtclanga/tcsds-1.2.34/bin/frt
flags: {}
operating_system: rhel8
target: aarch64
cc: /vol0004/apps/oss/llvm-v15.0.3/compute_node/bin/clang
cxx: /vol0004/apps/oss/llvm-v15.0.3/compute_node/bin/clang++
f77: /vol0004/apps/oss/llvm-v15.0.3/compute_node/bin/flang
fc: /vol0004/apps/oss/llvm-v15.0.3/compute_node/bin/flang
flags:
cflags: {"-msve-vector-bits=scalable"}
cxxflags: {"-msve-vector-bits=scalable"}
ldflags: {"-fuse-ld=lld -lelf -ldl"}
environment:
set:
fcc_ENV: -Nclang
FCC_ENV: -Nclang
prepend_path:
PATH: /opt/FJSVxtclanga/tcsds-1.2.34/bin
LD_LIBRARY_PATH: /opt/FJSVxtclanga/tcsds-1.2.34/lib64
extra_rpaths: []
- compiler:
paths:
cc: /usr/bin/gcc
cxx: /usr/bin/g++
f77: /usr/bin/gfortran
fc: /usr/bin/gfortran
OMPI_CC: /vol0004/apps/oss/llvm-v15.0.3/compute_node/bin/clang
OMPI_CXX: /vol0004/apps/oss/llvm-v15.0.3/compute_node/bin/clang++
OMPI_FC: /vol0004/apps/oss/llvm-v15.0.3/compute_node/bin/flang
OMPI_F77: /vol0004/apps/oss/llvm-v15.0.3/compute_node/bin/flang
append_path:
LD_LIBRARY_PATH: /opt/FJSVxtclanga/tcsds-1.2.36/lib64
operating_system: rhel8
target: aarch64
modules: []
environment:
unset: []
extra_rpaths: []
flags: {}
spec: [email protected]
- compiler:
paths:
cc: /usr/bin/gcc
cxx: /usr/bin/g++
f77: /usr/bin/gfortran
fc: /usr/bin/gfortran
operating_system: rhel8
target: x86_64
modules: []
environment:
unset: []
extra_rpaths: []
flags: {}
spec: [email protected]
- compiler:
spec: [email protected]
paths:
cc: /vol0004/apps/oss/spack-v0.19/opt/spack/linux-rhel8-skylake_avx512/gcc-8.4.1/gcc-12.2.0-bjidm56oz6mejysl3wvjr3mbn7sqk3ec/bin/gcc
cxx: /vol0004/apps/oss/spack-v0.19/opt/spack/linux-rhel8-skylake_avx512/gcc-8.4.1/gcc-12.2.0-bjidm56oz6mejysl3wvjr3mbn7sqk3ec/bin//g++
f77: /vol0004/apps/oss/spack-v0.19/opt/spack/linux-rhel8-skylake_avx512/gcc-8.4.1/gcc-12.2.0-bjidm56oz6mejysl3wvjr3mbn7sqk3ec/bin/gfortran
fc: /vol0004/apps/oss/spack-v0.19/opt/spack/linux-rhel8-skylake_avx512/gcc-8.4.1/gcc-12.2.0-bjidm56oz6mejysl3wvjr3mbn7sqk3ec/bin/gfortran
flags: {}
operating_system: rhel8
target: x86_64
modules: []
environment: {}
extra_rpaths: []
- compiler:
spec: [email protected]
Expand All @@ -128,9 +53,19 @@ compilers:
cxx: /vol0004/apps/oss/spack-v0.19/opt/spack/linux-rhel8-a64fx/gcc-8.5.0/gcc-12.2.0-sxcx7kmt3qiktffgzzvrj2wmup3g32bc/bin/g++
f77: /vol0004/apps/oss/spack-v0.19/opt/spack/linux-rhel8-a64fx/gcc-8.5.0/gcc-12.2.0-sxcx7kmt3qiktffgzzvrj2wmup3g32bc/bin/gfortran
fc: /vol0004/apps/oss/spack-v0.19/opt/spack/linux-rhel8-a64fx/gcc-8.5.0/gcc-12.2.0-sxcx7kmt3qiktffgzzvrj2wmup3g32bc/bin/gfortran
flags: {}
flags:
ldflags: {"-lelf -ldl"}
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(potential issue) Des this appear to concretize for you? I'm not familiar with this YAML syntax (it looks like a set of one element), typically one would write:

ldflags: "-lelf -ldl"

Also, would you be able to mention the error you get without this? I don't want to hold this PR up on it, but I may be able to make build suggestions that avoids the need for this.

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linking against fujitsu's blas lib (SSL2) with gcc results in missing symbols, which is why i need those flags

environment:
set:
OMPI_CC: /vol0004/apps/oss/spack-v0.19/opt/spack/linux-rhel8-a64fx/gcc-8.5.0/gcc-12.2.0-sxcx7kmt3qiktffgzzvrj2wmup3g32bc/bin/gcc
OMPI_CXX: /vol0004/apps/oss/spack-v0.19/opt/spack/linux-rhel8-a64fx/gcc-8.5.0/gcc-12.2.0-sxcx7kmt3qiktffgzzvrj2wmup3g32bc/bin/g++
OMPI_FC: /vol0004/apps/oss/spack-v0.19/opt/spack/linux-rhel8-a64fx/gcc-8.5.0/gcc-12.2.0-sxcx7kmt3qiktffgzzvrj2wmup3g32bc/bin/gfortran
OMPI_F77: /vol0004/apps/oss/spack-v0.19/opt/spack/linux-rhel8-a64fx/gcc-8.5.0/gcc-12.2.0-sxcx7kmt3qiktffgzzvrj2wmup3g32bc/bin/gfortran
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(potential issue) When we set OMPI_* variables, it is typically to point them at the underlying spack wrappers, it might be preferable to handle this as an update to fujitsu-mpi's package.py file in Spack.

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i understand. i can take a look how to fix fujitsu-mpi with an additional PR. for now its just to work around problems i run into with fugaku.

OPAL_PREFIX: /vol0004/apps/oss/mpigcc/fjmpi-gcc12
append_path:
LD_LIBRARY_PATH: /opt/FJSVxtclanga/tcsds-1.2.36/lib64
operating_system: rhel8
target: aarch64
modules: []
environment: {}
extra_rpaths: []

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