From NWChem
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Posts 81
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7:11:45 AM PDT - Fri, Sep 19th 2014 |
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Hi,
Unfortunately, all that I wrote about mingw32 compilation is wrong. My new Mingw32 installation conflicts with the old one, and the resulting executable is not able to work with MPI.
So I took the computer on which never was neither MPI nor Mingw (on WindowsXP).
I installed the current versions of Mingw and MPI, copy MPI in home folder and try to compile:
gcc -c -I. -I/home/amnikitin/MPICH2/include -I/home/amnikitin/nwchem-6.5/src/inc
lude -I/home/amnikitin/nwchem-6.5/src/tools/install/include -DLINUX -DGFORTRAN -
DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DPARALLEL_DIAG -DNEED_LOC -DJOBTIMEPATH=\"
/home/amnikitin/nwchem-6.5/bin/LINUX\" -DNWCHEM_SRCDIR="\"/home/amnikitin/nwchem
-6.5/src\"" -DBYTE_SHORT_PACKING -DBYTE_SHORT_PACKING -m32 -g -o linux_prin
taff.o linux_printaff.c
linux_printaff.c:2:19: fatal error: sched.h: No such file or directory
#include <sched.h>
^
compilation terminated.
make[1]: *** [/home/amnikitin/nwchem-6.5/lib/LINUX/libnwcutil.a(linux_printaff.o
)] Error 1
make: *** [libraries] Error 1
The result is reproduced on another computer with Windows7.
Which versions of mingw32 and MPI used developers?
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Vet
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Posts 790
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9:45:29 AM PDT - Fri, Sep 19th 2014 |
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Alexei
I am not quite sure I will be able to help you on mingw32 installation issues because of my very limited windows knowledge.
I have simply installed the files from the sourceforge page linked from mingw.org
Here are some of the version numbers
$ mingw-get.exe -V
mingw-get version 0.6.2-beta-20131004-1
Copyright (C) 2009-2013, MinGW.org Project
$ gcc -v
Using built-in specs.
COLLECT_GCC=D:\MinGW\bin\gcc.exe
COLLECT_LTO_WRAPPER=d:/mingw/bin/../libexec/gcc/mingw32/4.8.1/lto-wrapper.exe
Target: mingw32
Configured with: ../gcc-4.8.1/configure --prefix=/mingw --host=mingw32 --build=m
ingw32 --without-pic --enable-shared --enable-static --with-gnu-ld --enable-lto
--enable-libssp --disable-multilib --enable-languages=c,c++,fortran,objc,obj-c++
,ada --disable-sjlj-exceptions --with-dwarf2 --disable-win32-registry --enable-l
ibstdcxx-debug --enable-version-specific-runtime-libs --with-gmp=/usr/src/pkg/gm
p-5.1.2-1-mingw32-src/bld --with-mpc=/usr/src/pkg/mpc-1.0.1-1-mingw32-src/bld --
with-mpfr= --with-system-zlib --with-gnu-as --enable-decimal-float=yes --enable-
libgomp --enable-threads --with-libiconv-prefix=/mingw32 --with-libintl-prefix=/
mingw --disable-bootstrap LDFLAGS=-s CFLAGS=-D_USE_32BIT_TIME_T
Thread model: win32
gcc version 4.8.1 (GCC)
From the graphical interface mingw-get, I can see that the mingw32-base version is
20130722200
The MPICH installation details are clearly listed at
http://www.nwchem-sw.org/index.php/Compiling_NWChem#How-to:_Windows_Platforms
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Gets Around
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10:41:57 AM PDT - Fri, Sep 19th 2014 |
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It seems that I have the same version.
Are you sure that your computer have not another MinGW in parallel, especially TDM-GCC?
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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11:13:36 AM PDT - Fri, Sep 19th 2014 |
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Yet one more time, I am not a sophisticated Windows user (and I'd rather not become one ...)
I did just a single MinGW installation.
Did you check the content of /etc/fstab under MSYS?
sched.h should be in c:\mingw\include (assuming you installed mingw under c:)
/etc/fstab should be of this form (or something close)
C:/MinGW /mingw
C:/MinGW/opt/ /opt
C:/MinGW/local32/ /local32
C:/MinGW/build32/ /build32
C:/MinGW/local64/ /local64
C:/MinGW/build64/ /build64
C:/MinGW/sources/ /sources
Further details at
http://www.kineticsystem.org/mingw
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Gets Around
Threads 24
Posts 81
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12:49:57 PM PDT - Fri, Sep 19th 2014 |
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Quote:Edoapra Sep 19th 11:13 am
Did you check the content of /etc/fstab under MSYS?
sched.h should be in c:\mingw\include (assuming you installed mingw under c:)
Basic MinGW installation does not have POSIX.
Should I install Pthreads-win32? Maybe something else?
I am Windows programmer and know about Unix very little.
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Vet
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1:24:28 PM PDT - Fri, Sep 19th 2014 |
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Alexei
I am inclined to drop native support for MinGW and support only cross compilation from Linux based on the feddback I got from you.
Anyhow, this is what I got from the command
mingw-get list |grep Package
Package: mingw-developer-toolkit Subsystem: msys
Package: mingw32-autoconf Subsystem: mingw32
Package: mingw32-autoconf2.1 Subsystem: mingw32
Package: mingw32-autoconf2.5 Subsystem: mingw32
Package: mingw32-automake Subsystem: mingw32
Package: mingw32-automake1.10 Subsystem: mingw32
Package: mingw32-automake1.11 Subsystem: mingw32
Package: mingw32-automake1.4 Subsystem: mingw32
Package: mingw32-automake1.5 Subsystem: mingw32
Package: mingw32-automake1.6 Subsystem: mingw32
Package: mingw32-automake1.7 Subsystem: mingw32
Package: mingw32-automake1.8 Subsystem: mingw32
Package: mingw32-automake1.9 Subsystem: mingw32
Package: mingw32-autotools Subsystem: mingw32
Package: mingw32-base Subsystem: mingw32
Package: mingw32-basic-bsdtar Subsystem: mingw32
Package: mingw32-binutils Subsystem: mingw32
Package: mingw32-bsdcpio Subsystem: mingw32
Package: mingw32-bsdtar Subsystem: mingw32
Package: mingw32-bzip2 Subsystem: mingw32
Package: mingw32-dos2unix Subsystem: mingw32
Package: mingw32-expat Subsystem: mingw32
Package: mingw32-gcc Subsystem: mingw32
Package: mingw32-gcc-ada Subsystem: mingw32
Package: mingw32-gcc-fortran Subsystem: mingw32
Package: mingw32-gcc-g++ Subsystem: mingw32
Package: mingw32-gcc-objc Subsystem: mingw32
Package: mingw32-gcc-tools-epoch2-autoconf Subsystem: mingw32
Package: mingw32-gcc-tools-epoch2-automake Subsystem: mingw32
Package: mingw32-gcc-v3-ada Subsystem: mingw32
Package: mingw32-gcc-v3-core Subsystem: mingw32
Package: mingw32-gcc-v3-fortran Subsystem: mingw32
Package: mingw32-gcc-v3-g++ Subsystem: mingw32
Package: mingw32-gcc-v3-java Subsystem: mingw32
Package: mingw32-gcc-v3-objc Subsystem: mingw32
Package: mingw32-gdb Subsystem: mingw32
Package: mingw32-gdb-python Subsystem: mingw32
Package: mingw32-gendef Subsystem: mingw32
Package: mingw32-gettext Subsystem: mingw32
Package: mingw32-gmp Subsystem: mingw32
Package: mingw32-libarchive Subsystem: mingw32
Package: mingw32-libasprintf Subsystem: mingw32
Package: mingw32-libbz2 Subsystem: mingw32
Package: mingw32-libcharset Subsystem: mingw32
Package: mingw32-libexpat Subsystem: mingw32
Package: mingw32-libgcc Subsystem: mingw32
Package: mingw32-libgettextpo Subsystem: mingw32
Package: mingw32-libgfortran Subsystem: mingw32
Package: mingw32-libgmp Subsystem: mingw32
Package: mingw32-libgmpxx Subsystem: mingw32
Package: mingw32-libgnat Subsystem: mingw32
Package: mingw32-libgomp Subsystem: mingw32
Package: mingw32-libiconv Subsystem: mingw32
Package: mingw32-libintl Subsystem: mingw32
Package: mingw32-libltdl Subsystem: mingw32
Package: mingw32-liblzma Subsystem: mingw32
Package: mingw32-libminizip Subsystem: mingw32
Package: mingw32-libmpc Subsystem: mingw32
Package: mingw32-libmpfr Subsystem: mingw32
Package: mingw32-libobjc Subsystem: mingw32
Package: mingw32-libpdcurses Subsystem: mingw32
Package: mingw32-libpopt Subsystem: mingw32
Package: mingw32-libpthread-old Subsystem: mingw32
Package: mingw32-libpthreadgc Subsystem: mingw32
Package: mingw32-libpthreadgce Subsystem: mingw32
Package: mingw32-libquadmath Subsystem: mingw32
Package: mingw32-libquserex Subsystem: mingw32
Package: mingw32-libssp Subsystem: mingw32
Package: mingw32-libstdc++ Subsystem: mingw32
Package: mingw32-libtool Subsystem: mingw32
Package: mingw32-libunistring Subsystem: mingw32
Package: mingw32-libz Subsystem: mingw32
Package: mingw32-lua Subsystem: mingw32
Package: mingw32-make Subsystem: mingw32
Package: mingw32-mgwport Subsystem: mingw32
Package: mingw32-mingw-get Subsystem: mingw32
MinGW Package Download and Installation Tool
Package: mingw32-mingw-utils Subsystem: mingw32
Package: mingw32-mingwrt Subsystem: mingw32
Package: mingw32-minizip Subsystem: mingw32
Package: mingw32-mpc Subsystem: mingw32
Package: mingw32-mpfr Subsystem: mingw32
Package: mingw32-pdcurses Subsystem: mingw32
Package: mingw32-pexports Subsystem: mingw32
Package: mingw32-pkginfo Subsystem: mingw32
MinGW Package Identification Tool
Package: mingw32-popt Subsystem: mingw32
Package: mingw32-pthreads-w32 Subsystem: mingw32
Package: mingw32-tcl Subsystem: mingw32
Package: mingw32-tk Subsystem: mingw32
Package: mingw32-w32api Subsystem: mingw32
Package: mingw32-wsl_rc Subsystem: mingw32
Windows System Libraries Meta-Package
Package: mingw32-xerces-c Subsystem: mingw32
Package: mingw32-xz Subsystem: mingw32
Package: mingw32-zlib Subsystem: mingw32
Package: msys-autoconf Subsystem: msys
Package: msys-autogen Subsystem: msys
Package: msys-automake Subsystem: msys
Package: msys-base Subsystem: msys
Package: msys-bash Subsystem: msys
Package: msys-binutils Subsystem: msys
Package: msys-bison Subsystem: msys
Package: msys-bsdcpio Subsystem: msys
Package: msys-bsdtar Subsystem: msys
Package: msys-bzip2 Subsystem: msys
Package: msys-console Subsystem: msys
Package: msys-core Subsystem: msys
Package: msys-coreutils Subsystem: msys
Package: msys-crypt Subsystem: msys
Package: msys-cvs Subsystem: msys
Package: msys-cygutils Subsystem: msys
Package: msys-dash Subsystem: msys
Package: msys-diffstat Subsystem: msys
Package: msys-diffutils Subsystem: msys
Package: msys-dos2unix Subsystem: msys
Package: msys-expat Subsystem: msys
Package: msys-file Subsystem: msys
Package: msys-findutils Subsystem: msys
Package: msys-flex Subsystem: msys
Package: msys-gawk Subsystem: msys
Package: msys-gcc Subsystem: msys
Package: msys-gdbm Subsystem: msys
Package: msys-gettext Subsystem: msys
Package: msys-gmp Subsystem: msys
Package: msys-grep Subsystem: msys
Package: msys-groff Subsystem: msys
Package: msys-guile Subsystem: msys
Package: msys-gzip Subsystem: msys
Package: msys-help2man Subsystem: msys
Package: msys-inetutils Subsystem: msys
Package: msys-less Subsystem: msys
Package: msys-libarchive Subsystem: msys
Package: msys-libasprintf Subsystem: msys
Package: msys-libbz2 Subsystem: msys
Package: msys-libcharset Subsystem: msys
Package: msys-libcrypt Subsystem: msys
Package: msys-libexpat Subsystem: msys
Package: msys-libgdbm Subsystem: msys
Package: msys-libgettextpo Subsystem: msys
Package: msys-libgmp Subsystem: msys
Package: msys-libguile Subsystem: msys
Package: msys-libiconv Subsystem: msys
Package: msys-libintl Subsystem: msys
Package: msys-libltdl Subsystem: msys
Package: msys-liblzma Subsystem: msys
Package: msys-libmagic Subsystem: msys
Package: msys-libminires Subsystem: msys
Package: msys-libminizip Subsystem: msys
Package: msys-libopenssl Subsystem: msys
Package: msys-libopts Subsystem: msys
Package: msys-libpopt Subsystem: msys
Package: msys-libregex Subsystem: msys
Package: msys-libtermcap Subsystem: msys
Package: msys-libtool Subsystem: msys
Package: msys-libxml2 Subsystem: msys
Package: msys-lndir Subsystem: msys
Package: msys-locate Subsystem: msys
Package: msys-lpr-enhanced Subsystem: msys
Package: msys-m4 Subsystem: msys
Package: msys-make Subsystem: msys
Package: msys-man Subsystem: msys
Package: msys-minires Subsystem: msys
Package: msys-minizip Subsystem: msys
Package: msys-mintty Subsystem: msys
Package: msys-mksh Subsystem: msys
Package: msys-mktemp Subsystem: msys
Package: msys-openssh Subsystem: msys
Package: msys-openssl Subsystem: msys
Package: msys-patch Subsystem: msys
Package: msys-perl Subsystem: msys
Package: msys-popt Subsystem: msys
Package: msys-rebase Subsystem: msys
Package: msys-regex Subsystem: msys
Package: msys-rsync Subsystem: msys
Package: msys-rxvt Subsystem: msys
Package: msys-sed Subsystem: msys
Package: msys-system-builder Subsystem: msys
Package: msys-tar Subsystem: msys
Package: msys-termcap Subsystem: msys
Package: msys-texinfo Subsystem: msys
Package: msys-tiny Subsystem: msys
Package: msys-unzip Subsystem: msys
Package: msys-vim Subsystem: msys
Package: msys-w32api Subsystem: msys
Package: msys-wget Subsystem: msys
Package: msys-xz Subsystem: msys
Package: msys-zip Subsystem: msys
Package: msys-zlib Subsystem: msys
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Gets Around
Threads 24
Posts 81
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1:41:12 PM PDT - Fri, Sep 19th 2014 |
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Thanks, I think I understand what the problem was. I definitely intend to finish the job, because there are small additions into the code that I needed.
The big request to give binaries, at least for Windows. Not many people know how to compile and those who can compile Unix program is almost there.
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Gets Around
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Posts 81
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7:42:21 AM PDT - Sat, Sep 20th 2014 |
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So successful compilation came out to me:
1. MinGW can be installed using a semi-automatic tool mingw-get-setup.exe
(http://sourceforge.net/projects/mingw/files/).
We need basic MinGW installation (Basic Setup) plus pthreads-32 of "All Packages".
Msys required.
2. Installation does not writes the path to "C:\MinGW\bin".
It is necessary to do it yourself, as well as remove all the paths
to the others UNIX installations if any.
3. When we first start "msys.bat" a folder "C:\MinGW\msys\1.0\home\<user_name>"
created where we should unpack the NWChem archive, and place a copy of the MPICH2 folder.
4. The name of the distribution folder should be reduced to "Nwchem-6.5".
5. It is necessary to put a patch in a folder "Nwchem-6.5\sys" and apply it:
cd $NWCHEM_TOP/src
wget http://www.nwchem-sw.org/images/Util_md_sockets.patch.gz
gzip -d Util_md_sockets.patch.gz
patch -p0 < Util_md_sockets.patch
6. Compilation made from Msys console by:
export NWCHEM_TOP=~/nwchem-6.5
export NWCHEM_TARGET=LINUX
export USE_MPI=yes
export MPI_LOC=~/MPICH2
export MPI_INCLUDE=$MPI_LOC/include
export MPI_LIB=$MPI_LOC/lib
export LIBMPI="-lfmpich2g -lmpi"
export NWCHEM_MODULES=all
export DEPEND_CC=gcc
cd $NWCHEM_TOP/src
make nwchem_config
make FC=gfortran DEPEND_CC=gcc
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Edited On 7:43:57 AM PDT - Sat, Sep 20th 2014 by P99
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