* Step-by-step instructions to install KAPSEL [#s1fa1365] ** STEP 0: Linux or Windows? [#sd4e991d] - If you want to use KAPSEL on Linux, goto STEP 1. - If you want to use KAPSEL on Windows, install "[[Cygwin:http://cygwin.com]]" first, then goto STEP 1. Be sure to install "gcc" and "make" packages. - KAPSEL can be used on Mac OS X, but it is not officially supported. ** STEP 1: Download and install "Gourmet" [#b5c31f22] - "Gourmet" is a graphic platform developed by OCTA project. The entire OCTA package is not necessarily. Only Gourmet is required to use KAPSEL. - Goto [[OCTA-BBS:http://octa001.muse.aist.go.jp/phpBB3/]] and register to get your ID. - Follow "DOWNLOAD" -> "OCTA2007" -> "Platform GOURMET2007 in OCTA2007 (for Windows)" or "GOURMET 4.1.0 (on OCTA2007) for Windows and Linux" to download "Gourmet" package. - Follow the instruction there to install "Gourmet". ** STEP 2: Build "libplatform" [#b16eb306] - "libplatform" is an I/O library developed by OCTA project. One needs this to access to UDF-formatted files. - Instruction for Linux: > su > cd /usr/local/OCTA2007/GOURMET_2007 > tar xvfpz gourmet*_src.tar.gz > cd src > make > make install - Instruction for Windows: (Logon Windows with an administrator authorization and open Cygwin window.) $ ln -s /cygdrive/c/OCTA2007/ /usr/local/. $ cd /usr/local/OCTA2007/GOURMET_2007 $ unzip GOURMET_2007_SRC.zip $ cd src $ make $ make install ** STEP 3: Download "KAPSEL" [#hcf749f2] - Goto [[KAPSEL-BBS:http://www.cheme.kyoto-u.ac.jp/1koza/kapsel/phpBB3/]] and register to get your ID. - Follow "DOWNLOAD" -> "KAPSEL-2" -> "KAPSEL-2" to download "kapsel.tar.gz". - Download "&ref(Makefile);" and overwrite an existing file included in the "kapsel.tar.gz" ** STEP 4: Build "KAPSEL" [#h2d3c3c3] // > echo $PF_FILES (Set "PF_FILES" properly, if it has not done yet.) > tar xvfpz kapsel.tar.gz > cd kapsel > make ** STEP 5: Test "KAPSEL" [#l7319ece] - Download "&ref(define.udf);" and "&ref(sample1.udf);". Put them into KAPSEL source directory and type the following command. > ./kapsel -Isample1.udf -Ooutput.udf -Ddefine.udf -Rrestart.udf #using sample1.udf as input #using output.udf as output #using define.udf as definition #using restart.udf as restart # # Electrolyte eq. selected. # ... - If you see the output as shown in the above panel, KAPSEL has been successfully installed. ''Congratulations!'' * Optional information for Intel compiler [#v2b1c8eb] ** STEP 2a: Build "libplatform" with icc on Linux [#b16eb306] - for icc 7.1: > su > cd /usr/local/OCTA2007/GOURMET_2007/src > make clean > make WITHFC=no CC=icc CXX=icc > make install - for icc8.0: > su > cd /usr/local/OCTA2007/GOURMET_2007/src > make clean > make WITHFC=no CC=icc CXX="icpc -U GNU " > make install - for icc8.1 or later: > su > cd /usr/local/OCTA2007/GOURMET_2007/src > make clean > make WITHFC=no CC=icc CXX="icpc -lcxaguard" > make install - numerous warnings may appear but can be ignored them. ** STEP 4a: Build "KAPSEL" with icc on Linux [#h2d3c3c3] - for icc > make clean > make ENV=ICC - for icc + MKL + OpenMP > make clean > make ENV=ICC_MKL_OMP - numerous warnings may appear but can be ignored them.