Nice idea and possibly it would be interesting to see how Wien2k performs in
such an environment if it does at all.
But there is no need to wait for a box. For example:
Go to http://www.opensuse.org/ continue to http://software.opensuse.org/
Download the 64-bit (!) Version (DVD)
There are also Start-Up guide and Step-by-step installation guide
Check the install options, you may need to check the installation for
development to be sure
that all needed libraries are installed, otherwise you can do it in a later
step.
(with a liitle experience one can use the Network installation what is probably
faster (depending on the web access)
because no one will need the 4.7 GByte of the distribution)
You can easily install it in parallel to Windows or an other operating system.
(I am running XP and Suse since years in parallel on my Notebook and had no
troubles
other then by mistakes I did by myself.)
next
go to the Intel homepage http://www.intel.com and there to products, software,
linux development,
on the US page you will find for example
http://www.intel.com/cd/software/products/asmo-na/eng/219768.htm
choose free non-commercial download and accept the terms of use, then download
after registration
Intel? Fortran Compiler Professional Edition for Linux
Intel? Math Kernel Library (Intel? MKL) for Linux
Read the install guides and release notes and install Fortran and MKL
If your web access is not very slow and you do not do stupid things then you
have Wien running very well in latest 1/2 day
on youre Intel Core 2 6400.
Ciao
Gerhard
PS.: before someone complains: There are other Linux distributions you can also
download for free, but I do not have the links.
Von: wien-bounces at zeus.theochem.tuwien.ac.at [wien-bounces at
zeus.theochem.tuwien.ac.at] im Auftrag von Gavin Abo [gsabo at bama.ua.edu]
Gesendet: Montag, 1. September 2008 02:14
An: wien at zeus.theochem.tuwien.ac.at
Betreff: [Wien] [SPAM?] Installation Problems: Cygwin FreeBSD
Hi,
I'm a new user of WIEN2k and still an amateur with Linux. I would like to get
started using Cygwin and FreeBSD until we get an actual Linux box such as with
Red Hat. I'm having trouble with the base programs and compiling of WIEN2k,
which I will describe in more detail below along with my questions. If anyone
has some instructions written up for installing on either or can further be of
help, please let me know. Thanks in advance. -Gavin
1) Cygwin
Running Windows XP with Cygwin, Intel Core 2 6400 @ 2.13 GHz processor, 2 GB
RAM, and a 250 GB hard drive.
I installed g95 by following the compiling instructions at:
http://www.g95.org/src.shtml
I made a symbolic link with help from:
http://www.g95.org/docs.html#starting
I installed Lapack using the setup.exe and choosing lapack under the math
category.
I expanded the WIEN2k distribution according to the User's Guide.
I then ran ./siteconfig_lapw using generic.
I set the fortran compiler to g95 and the C compiler to gcc (expect it will
call cygwin package rather than from g95 install).
According to a past post, I should use -O for the compiler options:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2004-December/004226.html
If I compile with the options below, I get errors. I know there is problem
with using these options, since the compiler is not finding the lapack library
(not sure where the library is located and how it can be passed through
./siteconfig_lapw). Thus, this is were I'm stuck.
O Compiler options:-O
L Linker Flags:-L../SRC_lib
P Preprocessor flags '-DParallel'
R R_LIB (LAPACK+BLAS): -llapack_lapw
What compiler options might I use?
2) FreeBSD
Running FreeBSD 5.4, AMD Athlon XP 2800+ processor, 1 GB RAM, and a 120 GB hard
drive.
I'm more stuck here. How can I install ifc, g95, or gfortran? I tried the
FreeBSD x86 binary (current snapshot) from here:
http://ftp.g95.org/
However, it seems to be only for version 7 since I get an error stating
/libexec/ld-elf.so.1: Shared object libc.so.7 not found, required by g95.
They have other binary versions, but I see no indication of what FreeBSD
version the binary is for.
I see gfortran under /usr/ports/lang/gfortran. However, when I try to run a
make install clean, I get an error that gcc-core-4.0-20050319.tar.bz2 doesn't
seem to exist in /usr/ports/distfiles/.
I found instructions on installing ifc in FreeBSD here:
http://ezine.daemonnews.org/200209/ifc.html
However, the instructions seem to be old as freshports shows that the
linux_devtools-7 package has been deleted:
http://www.freshports.org/devel/linux_devtools-7/
I thought I read somewhere that FreeBSD has an Linux emulation layer built in,
so I'm wondering if the emulation package above is necessary or if there is an
alternative package in use.
I can download the latest ifc (Releases 8.0 - 10.1) and mkl (9.0 - 10.0)
packages for linux. What is the
