Downloading and upgrading SOLVE/resolve
The current version of the SOLVE/resolve package is version 2.00.
Please note: Current SOLVE/resolve users need a new license
for version 2.00 (it goes in "solve2.access" and the upgrade is free for
academic/non-profits)
There are three easy parts to installing SOLVE/resolve on your system
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you need to figure out which version of SOLVE/resolve matches your system
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you need to ftp a compressed file to your computer, uncompress it, and
run install.ksh to put the files in the right places on your system and
set up solvehelp (a link to the local version of the manual).
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you need to put the "solve2.access" file you get from us by email in the
right place on your system
Once you have SOLVE/resolve installed you can view the manuals just by
typing "solvehelp".
1. First you need to choose the file that matches your computer. If
none does, then you can get a version compiled on your computer directly
by emailing me at "terwilliger@lanl.gov".
Each download file contains "solve" and "solve_giant" and "solve_huge"
as well as the related "resolve" executables. The giant-size and even bigger
huge versions are for huge unit cells and are not usually necessary. Also
if you have a really enormous unit cell you may need an even bigger version
which you can receive by emailing me directly.
| If your computer is a... |
Then ftp this file... |
| Alpha running Digital (Tru-64) Unix |
solve-2.00-digital.tar.Z |
| HP (PA1.1 or higher) |
solve-2.00-hp.tar.Z |
| SGI (R5000 or higher) |
solve-2.00-sgi.tar.Z |
| Sun (SunOS version 5 or higher) |
solve-2.00-sun.tar.Z |
| linux (Red Hat 6.1 or higher on Pentium III) |
solve-2.00-linux.tar.Z |
| |
|
2. Here is how to get the file containing the SOLVE and resolve programs
by ftp, uncompress it, and put the files in the right places on your system.
(Note that you can substitute any directory you want for "/usr/local/lib/solve"
in the install.ksh script and then set the environmental variable SOLVEDIR
to point to that directory in everyone's .login or .login_custom file.)
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uncompress and extract the files:
gunzip solve*.gz
tar xof solve*.tar
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install solve by running install.ksh (after editing it if you wish):
cd solve-2.00/
./install.ksh
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You are just about ready to go. Now you can run solve or resolve (usually
in /usr/local/bin/solve and /usr/local/bin/resolve) for regular-size runs,
and solve_giant and resolve_giant or the bigger solve_huge and resolve_hugefor
huge unit cells.
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Now this directory also has in it all the symmetry files
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This directory also has the local on-line manual. You can access the on-line
manual just by typing "solvehelp" now. (It may only take effect after you
log in again).
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Finally, you need to set the CCP4_OPEN environmental variable. Put in your
.login_custom or else at the beginning of all files to run solve the following
command. (It allows ccp4 routines to overwrite existing files. If you don't
do this solve will stop the second time you run it when it tries to open
solve.mtz)
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setenv CCP4_OPEN UNKNOWN # for csh shell
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export CCP4_OPEN=UNKNOWN # for bash or ksh shells
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You may also wish to set the environmental variable SOLVEDIR which tells
SOLVE and resolve where to look for solve2.access and symmetry files. (Change
the directory if you don't use the default one.)
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setenv SOLVEDIR /usr/local/lib/solve/ # for csh shell
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export SOLVEDIR=/usr/local/lib/solve/ # for bash or ksh shells
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You are now ready to go as soon as your solve2.access file is ready
3. Here is how to set up your solve2.access file. After your license is
completed you should receive an email from us with the two lines of information
for the solve2.access file. (Note that the old solve.access file for version
1 won't work any more.) They will look like:
License for SOLVE/resolve version 2 expiring 01-jan-03
X89A943951
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There should be exactly 10 characters left justified on the second line.
This is the access code.
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Put the 2 lines into a file called "solve2.access" and put this file in
the directory /usr/local/lib/solve or else in the directory named by the
environmental variable SOLVEDIR. (See "Intro/Getting
Started/The SOLVEDIR environmental variable" for more information on
setting that variable.)
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You are ready to go. You should be able to run solve by typing "solve"
from any directory if your path is set up to look in /usr/local/bin for
programs. You can always type "/usr/local/bin/solve" to run solve if your
path isn't set.
If you have problems getting SOLVE/resolve going then:
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try again a couple times following the instructions as closely as possible
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check that the machine you are working on matches the file you have ftp'd
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email me for help at terwilliger@lanl.gov