* Step-by-step instructions to build KAPSEL [#s1fa1365] If KAPSEL binaries do not run on your machine, or if you want to modify KAPSEL source codes for your own purpose, you can build KAPSEL binaries from the source package. ** STEP 0: Linux or Windows? [#sd4e991d] - To build KAPSEL on Linux, goto STEP 1. - To build KAPSEL on Windows, install "[[Cygwin:http://cygwin.com]]" first, then goto STEP 1. Be sure to include "gcc" and "make" packages. - KAPSEL can be build also on Mac OS-X. (not officially supported) ** STEP 1: Download and install GOURMET [#b5c31f22] - Visit [[OCTA-BBS:http://octa001.muse.aist.go.jp/phpBB3/]] and Login. Registration is required if you haven't yet complete it. - For Linux -- Follow "DOWNLOAD" -> "OCTA2007" -> "GOURMET 4.1.0 (on OCTA2007) for Windows and Linux". -- download "gourmet_2007_linux.tar.gz" > tar zxvf gourmet_2007_linux.tar.gz > su > mkdir /usr/local/OCTA2007 > mv GOURMET_2007 /usr/local/OCTA2007/. - For Windows -- Follow "DOWNLOAD" -> "OCTA2007" -> "Platform GOURMET2007 in OCTA2007 (for Windows)". -- download "GOURMET2007.exe" and click it. ** STEP 2: Build "libplatform" [#b16eb306] - "libplatform" is an I/O library developed by OCTA project. One needs this library to access to UDF-formatted files. - For Linux: > su > cd /usr/local/OCTA2007/GOURMET_2007 > tar zxvf gourmet2007_src.tar.gz > cd src > make > make install - For Windows: -- Logon Windows with an administrator authorization -- 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 - See manuals for more detailed information on libplatform -- English: &ref(libplatform_eng.pdf); -- Japanese: &ref(libplatform_jpn.pdf); ** STEP 3: Download "KAPSEL" source code [#hcf749f2] - Visit [[KAPSEL-BBS:http://www-tph.cheme.kyoto-u.ac.jp/kapsel/phpBB3/]] and Login. Registration is required if you haven't yet complete it. - Follow "DOWNLOAD" -> "KAPSEL-2" to download "kapsel2_src.zip". ** STEP 4: Build "KAPSEL" binary executable [#h2d3c3c3] > unzip kapsel2_src.zip > make ** STEP 5: Test run [#l7319ece] > ./kapsel -Icolloid_1.udf -Ooutput.udf -Ddefine_2.00.udf -Rrestart.udf #using colloid_1.udf as input #using output.udf as output #using define_2.00.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 built. * 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 ** 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