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cp2k's Introduction

This is the CP2K software & test suite

 * COPYRIGHT: the license of under which CP2K can be distributed
 * INSTALL: How to set up the program (mainly how to compile it)
 * README: This file
 * arch: Definitions for different architectures/compilers
 * doc: Documentation, mostly for developers
 * exe: where the executables will be located
 * lib: library built during compilation
 * makefile: the one and only Makefile
 * obj: Where the object and other compilation-time files
 * src: The source code; please see also the file 'INSTALL'
 * tests: Test inputs 
 * tools: Some small programs/scripts needed to compile the program

--
for information have a look at :
http://cp2k.berlios.de/

cp2k's People

Contributors

misteliy avatar

Stargazers

Mohammad Amin Esmaeilbeig avatar Janex avatar  avatar Doug Franz avatar  avatar  avatar  avatar  avatar

Watchers

James Cloos avatar  avatar  avatar

cp2k's Issues

cp2k installation

I'm using Linux-ia64-intel.sopt and get
makefiles]$ make -j 4 ARCH=Linux-ia64-intel VERSION=sopt
Discovering programs ...
Removing stale archives for sopt ...
Resolving dependencies for sopt ...
/data/cp2k-5.1/tools/build_utils/fypp -n /data/cp2k-5.1/src/base/kinds.F kinds.fypped
/data/cp2k-5.1/tools/build_utils/fypp -n /data/cp2k-5.1/src/dbcsr/base/array_types.F array_types.fypped
/data/cp2k-5.1/tools/build_utils/fypp -n /data/cp2k-5.1/src/dbcsr/base/btree.F btree.fypped
/data/cp2k-5.1/tools/build_utils/fypp -n /data/cp2k-5.1/src/dbcsr/mm/dbcsr_mm_types.F dbcsr_mm_types.fypped
cpp -C -P -traditional -D__COMPILE_ARCH=""Linux-ia64-intel"" -D__COMPILE_DATE=""Thu Apr 12 17:42:29 EDT 2018"" -D__COMPILE_HOST=""localhost.localdomain"" -D__COMPILE_REVISION=""svn:18091"" -D__DATA_DIR=""/data/cp2k-5.1/data"" -I/data/cp2k-5.1/src -D__SHORT_FILE__=""base/kinds.F"" -I'/data/cp2k-5.1/src/base/' kinds.fypped > kinds.f90
cpp -C -P -traditional -D__COMPILE_ARCH=""Linux-ia64-intel"" -D__COMPILE_DATE=""Thu Apr 12 17:42:29 EDT 2018"" -D__COMPILE_HOST=""localhost.localdomain"" -D__COMPILE_REVISION=""svn:18091"" -D__DATA_DIR=""/data/cp2k-5.1/data"" -I/data/cp2k-5.1/src -D__SHORT_FILE__=""dbcsr/base/array_types.F"" -I'/data/cp2k-5.1/src/dbcsr/base/' array_types.fypped > array_types.f90
cpp -C -P -traditional -D__COMPILE_ARCH=""Linux-ia64-intel"" -D__COMPILE_DATE=""Thu Apr 12 17:42:29 EDT 2018"" -D__COMPILE_HOST=""localhost.localdomain"" -D__COMPILE_REVISION=""svn:18091"" -D__DATA_DIR=""/data/cp2k-5.1/data"" -I/data/cp2k-5.1/src -D__SHORT_FILE__=""dbcsr/mm/dbcsr_mm_types.F"" -I'/data/cp2k-5.1/src/dbcsr/mm/' dbcsr_mm_types.fypped > dbcsr_mm_types.f90
cpp -C -P -traditional -D__COMPILE_ARCH=""Linux-ia64-intel"" -D__COMPILE_DATE=""Thu Apr 12 17:42:29 EDT 2018"" -D__COMPILE_HOST=""localhost.localdomain"" -D__COMPILE_REVISION=""svn:18091"" -D__DATA_DIR=""/data/cp2k-5.1/data"" -I/data/cp2k-5.1/src -D__SHORT_FILE__=""dbcsr/base/btree.F"" -I'/data/cp2k-5.1/src/dbcsr/base/' btree.fypped > btree.f90
efc -FR -c -O2 -Vaxlib -tpp2 dbcsr_mm_types.f90
make[3]: efc: Command not found
efc -FR -c -O2 -Vaxlib -tpp2 kinds.f90
make[3]: efc: Command not found
efc -FR -c -O2 -Vaxlib -tpp2 array_types.f90
make[3]: efc: Command not found
efc -FR -c -O2 -Vaxlib -tpp2 btree.f90
make[3]: efc: Command not found
make[3]: *** [dbcsr_mm_types.o] Error 127
make[3]: *** Waiting for unfinished jobs....
make[3]: *** [kinds.o] Error 127
make[3]: *** [array_types.o] Error 127
make[3]: *** [btree.o] Error 127
make[2]: *** [all] Error 2
make[1]: *** [sopt] Error 2
make: *** [all] Error 2
Basically it says that efc command is not found. How do I remedy that?

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