How to build RSPt¶
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Software
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Version
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Cluster
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|---|---|---|
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RSPt
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20211004
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Dardel
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Request access to the RPSt GitHub repository by contacting the developers.
https://www.physics.uu.se/research/materials-theory/ongoing-research/code-development/rspt-main/
Download and untar the latest release of RSPt.
Configure¶
Load the environment for building with the Gnu compiler and Cray Scientific libraries on Dardel
ml PrgEnv-gnu/8.3.3
ml cray-fftw/3.3.10.1
Edit the RSPTmake.inc to include
FHOME =
FCOMPILER = ftn
FCOMPILERFLAGS = -O3 -march=znver2 -mtune=znver2 -mfma -mavx2 -m3dnow -fomit-frame-pointer -ffree-line-length-0
FCPPFLAGS = -DMPI -DMEMORY_STORE -fallow-argument-mismatch
FTARGETARCH =
FORTRANLIBS =
F90COMPILER = ftn
F90COMPILERFLAGS = $(FCOMPILERFLAGS) -ffree-form
# gcc
CCOMPILER = ftn
#CCOMPILER = cc -lmpifort_cray
CCOMPILERFLAGS = -O3 -march=znver2 -mtune=znver2 -mfma -mavx2 -m3dnow -fomit-frame-pointer
CTARGETARCH =
CPPFLAGS = -DMPI -DMEMORY_STORE -fallow-argument-mismatch
CLOADER =
# LIBRARIES AND INCLUDE DIRECTORIES
LAPACKLIB =
BLASLIB =
FFTWLIB =
EXTRALIBS = -z muldefs
INCLUDEDIRS =
Build¶
make all
Disclaimer¶
PDC takes no responsibility for the correctness of results produced with the binaries. Always evaluate the binaries against known results for the systems and properties you are investigating before using the binaries for production jobs.