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doku:cp2k [2014/05/14 07:46] – markus | doku:cp2k [2023/03/20 15:02] (current) – removed goldenberg | ||
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- | ==== cp2k-2.4.0 === | ||
- | === Libraries === | ||
- | libint-2.0.3-stable.tgz | ||
- | < | ||
- | CXX=icpc CC=icc ./configure --prefix=< | ||
- | </ | ||
- | |||
- | |||
- | libxc-2.0.1.tar.gz | ||
- | < | ||
- | F77=ifort FC=ifort CC=icc CFLAGS=-O3 ./configure --prefix=< | ||
- | </ | ||
- | |||
- | |||
- | === cp2k === | ||
- | |||
- | Bug with intel 13 compilers: | ||
- | https:// | ||
- | |||
- | |||
- | own arch file: | ||
- | |||
- | < | ||
- | CC= icc -openmp -mkl=parallel | ||
- | CPP= | ||
- | |||
- | FC=mpiifort -openmp -mkl=parallel | ||
- | LD=mpiifort | ||
- | |||
- | AR = ar -r | ||
- | DFLAGS | ||
- | CPPFLAGS = | ||
- | FCFLAGS | ||
- | FCFLAGS2 = $(DFLAGS) -I$(INTEL_INC) -O1 -xHOST -fpp -free | ||
- | LDFLAGS | ||
- | #LIBS | ||
- | LIBS | ||
- | |||
- | OBJECTS_ARCHITECTURE = machine_intel.o | ||
- | |||
- | |||
- | graphcon.o: graphcon.F | ||
- | $(FC) -c $(FCFLAGS2) $< | ||
- | |||
- | </ |