AMBER Archive (2005)

Subject: AMBER: Target MD and nmode test hang

From: Mingfeng Yang (mfyang_at_gmail.com)
Date: Thu Mar 31 2005 - 20:08:13 CST

I just want to share a little my experience, which maybe helpful to
other people.

Today, I compiled AMBER 7 at my Gentoo box with g77 (gcc version
3.4.3). The compilation went smoothly, but the test step didn't.
"make test.sander" hang in target md, and "make test.nmode" also hang
there.

Then I applied bugfix 1 to amber7/src/lapack/Makefile, and changed the line
    setenv L0 "g77 -c -g $G77_COMPAT"
to
    setenv L0 "g77 -c -g $G77_COMPAT -O0"

Recompile and everything is ok.

Best,
Yang

BTW: Is the following difference from the test for quasih really diffrent?
11c11
< 294959.01 676693.42 737530.42 

---
>          294959.00   676693.38   737530.39
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