AMBER Archive (2008)

Subject: Re: AMBER: sander error on Make test.serial

From: Evan Kelly (ebkelly_at_ualberta.ca)
Date: Thu Feb 14 2008 - 12:36:25 CST

Hi David,

Thanks for the advice. I just discovered a newer version of the MKL
library and compiled with it. The compile and test suite were both
successful.

Cheers,

----------------------------------
Evan Kelly
ebkelly_at_ualberta.ca

On 13-Feb-08, at 10:57 PM, David A. Case wrote:

> On Wed, Feb 13, 2008, Evan Kelly wrote:
>>
>> I am recompiling the serial version of Amber after a system upgrade
>> (Athlon system using ifort_ia32 config option and MKL). The compile
>> was successful, but, the the test suite gives the following fatal
>> error:
>>
>> ==============================================================
>> cd rdc; ./Run.dip
>> ../../exe/sander: symbol lookup error: ../../exe/sander: undefined
>> symbol: _MKL_SERV_lsame
>
> Did the system upgrade change the mkl version or something? Did you
> recompile
> after the upgrade?
>
> Is the "rdc" test the only one that gives this error?
>
> My first suggestion is to compile without MKL -- for most things,
> you probably
> won't really notice much of a performance hit.
>
> ...dac
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