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Hi Bill,
CCP4 5.0.2 (completely) and 6.0.0 (sans clipper) both compile with
the Intel Fortran compilers for MacIntel. I posted something
about a month or so back about that
I completely missed it and can't find it in the archive. In any
case, can you please post a link to a site for the intel compiler?
Also, do they make it free for academic users (like they do for
linux)?
I've pasted the original message below (it was titled something
like CCP4 and friends or something).
The Intel Compilers are currently in Beta testing (but the beta
period ends soon). I don't know what the pricing scheme will be. In
the past I thought that Intel made the previous release of the Linux
version available for free (not the current release), but someone
else probably knows better. You may be able to still sign up for the
beta testing (check the link at the bottom the page listed below:
http://www.intel.com/cd/software/products/asmo-na/eng/227389.htm
I've been very pleased with the compilers (both fortran and C) on
the new systems. And in general I am pleased with the performance of
the new systems. I've spent some time optimizing code for the new
CPU's and in a lot of ways things are much easier (Altivec vs. SSE
aside).
Regards,
Dave
Original Message:
Dear CCP4-ers,
Since there was a previous discussion about crystallography
programs on the new Intel machines from Apple, I thought I'd post
some information. This is just FYI.
I now have built (and where necessary have build procedures) for
CCP4 and several other programs that are routinely used/mentioned
here. Rather than contact each of the authors/maintainers
individually I'm posting here, since most of them monitor this site.
If you are either a developer or maintainer and would like my notes
or binaries please contact me (see program list below). Some programs
aren't part of CCP4 directly, but again since they are mentioned here
often, I'm including them below. I won't distribute binaries to
individuals without the authors permission, of course.
CCP4 (5.0.2)
Build appears complete and working. Although it hasn't been
extensively tested.
CCP4 (5.99.5) <= Now it's 6.0.0 same problem with clipper
Clipper failed to compile but this appears to be due to a bug in the
compiler and can hopefully be addressed soon.
The rest of the build appeared to go, again it hasn't been
thoroughly tested.
Mosflm (6.2.5)
Complete build and appears to work. Compiled with both Big and Small
window settings (both with Q315 support).
Shelx (latest)
Complete build. Not tested.
Solve (2.11)
Complete build. Not tested.
CNS Solve (1.1)
Complete build. Beta (since it required some minor modification to
go). On the SBGrid website already.
This version runs well on the Intel systems but isn't tuned like the
PowerPC version on our site, it's still pretty fast though.
When I get a chance I'll begin tuning soon.
Miscellaneous Applications
babel
bsoft
dssp
ligplot
molphy
naccess
nuccyl
procheck
profit
quilt
replace
I'll be working on more as time (and access to source) permits.
Some programs build right out of the box, some require minor
finessing of the build procedure. Anyway I thought I'd share the
information and if you are an author/maintainer and would like my
notes (or binaries) please let me know.
Regards,
Dave
