Add build script for Improv at ANL LCRC - #4994
Conversation
prckent
left a comment
prckent
left a comment
There was a problem hiding this comment.
Is it not possible to module load boost etc. on this machine and avoid the extensive cmake line? Are they not setting the correct environment variables, making this extensive by-hand configuration necessary?
|
They do not have several of our needed dependencies available via module yet. LCRC manages their system w/ Spack. The admins quickly built a module for QMCPACK via Spack and it was easiest for now just to use paths to the dependencies Spack built along the way. I will continue to encourage them to make the dependencies available via modules. |
|
|
||
|
|
||
| CMAKE_FLAGS="-DENABLE_PPCONVERT=0 \ | ||
| -DLAPACK_LIBRARIES=/gpfs/fs1/soft/improv/software/spack-built/linux-rhel8-zen3/gcc-13.2.0/openblas-0.3.26-blohgyt/lib/libopenblas.so \ |
There was a problem hiding this comment.
Loaded libflame but forcing openblas as the LAPACK?
Technically, amdblis is the BLAS and amdlibflame seems to be the LAPACK.
If you insist using openblas. Could you unload blis and flame?
| -DFFTW_LIBRARIES=/gpfs/fs1/soft/improv/software/spack-built/linux-rhel8-zen3/gcc-13.2.0/fftw-3.3.10-x5237xr/lib/libfftw3.so \ | ||
| -DFFTW_INCLUDE_DIR=/gpfs/fs1/soft/improv/software/spack-built/linux-rhel8-zen3/gcc-13.2.0/fftw-3.3.10-x5237xr/include \ | ||
| -DLIBXML2_INCLUDE_DIR=/gpfs/fs1/soft/improv/software/spack-built/linux-rhel8-zen3/gcc-13.2.0/libxml2-2.10.3-xkoaaap/include/libxml2 \ | ||
| -DLIBXML2_LIBRARY=/gpfs/fs1/soft/improv/software/spack-built/linux-rhel8-zen3/gcc-13.2.0/libxml2-2.10.3-xkoaaap/lib/libxml2.so \ |
There was a problem hiding this comment.
You may set CMAKE_PREFIX_PATH as a CMake command-line option or environment variable.
SPACK_ROOT=/gpfs/fs1/soft/improv/software/spack-built/linux-rhel8-zen3/gcc-13.2.0
export CMAKE_PREFIX_PATH=$SPACK_ROOT/fftw-3.3.10-x5237xr:$SPACK_ROOT/libxml2-2.10.3-xkoaaap:$CMAKE_PREFIX_PATH
to avoid explicit setting both include and library by hand.
|
Comments addressed. |
ye-luo
left a comment
ye-luo
left a comment
There was a problem hiding this comment.
My last request. Please rename the file to
build_anl_lcrc_improv.sh
| export CMAKE_PREFIX_PATH=$SPACK_ROOT/fftw-3.3.10-x5237xr:$CMAKE_PREFIX_PATH | ||
| export CMAKE_PREFIX_PATH=$SPACK_ROOT/libxml2-2.10.3-xkoaaap:$CMAKE_PREFIX_PATH | ||
| export CMAKE_PREFIX_PATH=$SPACK_ROOT/hdf5-1.14.3-6qo7t6e:$CMAKE_PREFIX_PATH | ||
| export CMAKE_PREFIX_PATH=$SPACK_ROOT/openblas-0.3.26-blohgyt/lib:$CMAKE_PREFIX_PATH |
There was a problem hiding this comment.
Probably lib is not needed.
There was a problem hiding this comment.
Correct. Removed.
|
The file has been renamed. No issues remaining. |
prckent
left a comment
prckent
left a comment
There was a problem hiding this comment.
LGTM. All previous comments addressed
|
Test this please |
3 participants
Proposed changes
Enable builds on Improv at ANL's LCRC
What type(s) of changes does this code introduce?
Does this introduce a breaking change?
What systems has this change been tested on?
Improv
Checklist