AMBER Archive (2006)

Subject: AMBER: gfortran and amber9 success on FreeBSD

From: M. L. Dodson (mldodson_at_houston.rr.com)
Date: Sat Nov 18 2006 - 16:02:16 CST

Hello ambers:

I just finished compiling a serial, static, 32-bit version of
amber9 with gfortran [version 4.1.2 20061110 (prerelease)] and
gcc41 [version 4.1.2 20061110 (prerelease)] on FreeBSD
6.2-PRERELEASE. The bugfix.all patch as of Nov. 18, 2006 was
applied. Tests were successful with minor, last decimal point
differences (FreeBSD does not use the either the Linux glibc or
libm, so this is not too surprising). The TEST_FAILURES.diff is
available by emailing me. The config.h file was modified after
generation with

./configure -static -p4 gfortran

as follows:

CC= gcc41
CPLUSPLUS=g++41
FPP= cpp41 -traditional $(FPPFLAGS)
LOADCC= gcc41 -static $(LOCALFLAGS) $(AMBERBUILDFLAGS)
LOADLIB= -lm -lstdc++

The key change was the LOADLIB addition (libstdc++ was needed to
pick up fmodl).

(The native cc on FreeBSD 6.2-PRERELEASE, which is gcc, is version
3.4.6, hence the CC and CPLUSPLUS changes.)

The softlink of /usr/local/bin/gmake to /usr/local/bin/make hack
I have described in prior postings was used (see the list
archives).

The netcdf and QMMM DFTB functionalities were not tested.

This result will need to be verified on Linux, at least, and
preferably a 64-bit version checked as well.

Bud Dodson 

-- 
M. L. Dodson
Email:	mldodson-at-houston-dot-rr-dot-com
Phone:	eight_three_two-56_three-386_one

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu