Re: [AMBER] Compiling trouble of AmberTools with intel compiler v12.1.0.

From: K. Uebayashi <u.kzhk75.gmail.com>
Date: Thu, 17 Nov 2011 15:06:13 +0900

Dear all,


Thank you for Mark's reply.

2011/11/16 Mark Williamson <mjw.mjw.name>:
> You could try removing the -std=c++0x flag from
> ./AmberTools/src/configure and regenerate your config.h, then recompile.
> However, there must have been a reason for this flag being there in the
> first place.

Removing "-std=c++0x" flag from ./configure in AmberToosl,
I can make AmberTools binary and Amber11 binary.


First I check ambertools "make test",
  500 file comparisons passed
  11 file comparisons failed
  0 tests experienced errors
.
Next I check test in amber(11) "make test",
  365 file comparisons passed
  15 file comparisons failed
  18 tests experienced errors
.

"Program error" appears at
./Run.{\
1argasp.min1,1dadt.min1 ,dgdc.min1,1lysasp.min1,1polyALA.min1,
1polyAT.min1,1argasp.min1,1dadt.min1,1dgdc.min1,1lysasp.min1,
1polyALA.min1,1polyAT.min1,1argasp.min1,1dadt.min1,1dgdc.min1,
1lysasp.min1,1polyALA.min1,1polyAT.min1}
.
Message log says:
 forrtl: severe (19): invalid reference to variable in NAMELIST input, unit 5,
 file /usr/local/src/Amber/11-1.5.0-PT_intel/test/\
  sander_pbsa_frc/dbf_0/dadt/min.in, line 10, position 29
.

This message is same as http://archive.ambermd.org/201107/0502.html,
and Run.*.min1.* are listed in $AMBERHOME/AT15_Amber11.py-log.

Are these test logs meant that intel abmer binaries are built well?

-- 
K. Uebayashi
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Received on Wed Nov 16 2011 - 22:30:03 PST
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