[AMBER] Will no implementation of feupdateenv cause serious problems?

From: <kurisaki.ncube.human.nagoya-u.ac.jp>
Date: Wed, 02 Mar 2011 14:55:51 +0900

Dear Amber developers,

I am trying to compile Amber11 on Linux platform,
using Intel fortran compiler 10.1 and MKL 10.0.

When a config.h was generated by "% ./configure intel",
The following message was shown.

> /home/Intel/cce/10.1.015/lib/libimf.so: warning: warning:
> feupdateenv is not implemented and will always fail

(I recogninzed this message was derived from our platform, not from amber package.)

Although such a message was shown,
I (probably) succeeded in compiling Amber11 and AmberTools 1.4.
The test calculations of installation were passed except a few possible failure.

I would like you to give some comments or advices
if there are potential problem
in respect with lack of "feupdateenv" through usual Amber usage.

If so, would you tell me how to resolve this problem.

Yours sincerely,

                                      Ikuo Kurisaki


The test calculation was finished as following:
export TESTsander='../../../../exe/pmemd'; cd chamber/md_engine/dhfr_cmap_pbc &&
diffing mdout.dhfr_charmm.md.save with mdout.dhfr_charmm.md

Finished serial test suite for Amber 11 at Wed Mar 2 11:58:04 JST 2011.

and three tests showed possible failure;
possible FAILURE: check _MMPBSA_mutant_complex.mdcrd.dif
possible FAILURE: check FINAL_RESULTS_MMPBSA.dat.dif
possible FAILURE: check water_dimer.out.dif.

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Received on Tue Mar 01 2011 - 22:00:02 PST
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