Re: [AMBER-Developers] need suggestions about Amber12 build/test procedure

From: B. Lachele Foley <>
Date: Tue, 14 Feb 2012 20:10:23 +0000

"Out of curiosity, do you use parallel make? That shortens things
significantly for me. Tyler has been great in making sure "make -j" keeps
working despite all our abuses."

I think the last time I tried, it didn't work so well. Not sure how long ago that was. Will try again. :-)

"This would add an MPI dependency (or complications) on the serial
build, and will take a non-negligible amount of re-working the build
procedure to accomplish (the current workflow is hard-wired in some places)."

I'm not disputing you, but I don't know why... so, why? Long time ago, configure mostly just made config.h files. Once I got one that worked, I would copy it to "config.h_serial_ia64_mpi" or whatever. Then, if I had to recompile for some reason, I would just copy over the appropriate config file to config.h to build serial or parallel. I assume your statement means this is no longer possible?

"I also think it's too close to release to be trying such a radical change for so limited
(IMO, of course) a return."

I agree with this in any case -- not worth the trouble now.

./configure gnu && make install
./configure -mpi gnu && make install
[./configure -mpi -cuda gnu && make install]
make test.serial
make test.cuda
export DO_PARALLEL=blah && make test.parallel && make test.cuda_parallel
export DO_PARALLEL=blah8 && make test.parallel

Yes, I like this better.

Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
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Received on Tue Feb 14 2012 - 12:30:03 PST
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