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

From: <kurisaki.ncube.human.nagoya-u.ac.jp>
Date: Wed, 02 Mar 2011 15:29:52 +0900

Dear Prof. Ross Walker,

Thank you for kind and rapid supprot.
Sincerely yours,

                      Ikuo Kurisaki




>Hi Ikuo
>
>That warning is innocuous and you can safely ignore it. None of the AMBER packages make use if that
intrinsic.
>
>All the best
>Ross
>
>
>
>On Mar 1, 2011, at 21:55, kurisaki.ncube.human.nagoya-u.ac.jp wrote:
>
>> 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
>>
>>
>> p.s.
>>
>> The test calculation was finished as following:
>> ==============================================================
>> export TESTsander='../../../../exe/pmemd'; cd chamber/md_engine/dhfr_cmap_pbc &&
>> ./Run.dhfr_cmap_pbc_charmm.md
>> diffing mdout.dhfr_charmm.md.save with mdout.dhfr_charmm.md
>> PASSED
>> ==============================================================
>>
>> 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.
>>
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>
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>


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e-mail kurisaki.ncube.human.nagoya-u.ac.jp
==============================================


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Received on Tue Mar 01 2011 - 23:00:03 PST
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