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Message-ID: <470A57D7.7050809@pnl.gov>
Date: Mon, 08 Oct 2007 09:16:23 -0700
From: Dunyou Wang <dunyou.wang@pnl.gov>
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To: Jeff Hammond <jeff.science@gmail.com>
CC: Ken Taylor <kenichi@sgi.com>, NWChem Users <nwchem-users@emsl.pnl.gov>
Subject: Re: [NWCHEM] geom_binvr: dsyev failed?
References: <96f4bb620710052010q38778b9h395d5906ee96c730@mail.gmail.com>	 <Pine.SGI.3.96.1071006095412.10253863B-100000@zion.americas.sgi.com>	 <D59801BCA402F5418C040937230AF7E0366D7B@mtv-amer002e--3.americas.sgi.com>	 <D59801BCA402F5418C040937230AF7E0366D7D@mtv-amer002e--3.americas.sgi.com> <96f4bb620710061537u7a56cfdegec435dfe087bbef@mail.gmail.com>
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If you are using a newer version of GA (added single complex function)
other than the one coming with 5.0, you'll see this cgemm problem. We'll
fix this in the new release version. 

--Dunyou

Jeff Hammond wrote:
> I've seen that same error lately as well.  Just set BLASOPT='-llinalg'
> to fix the problem with cgemm.
>
> Jeff
>
> On 10/6/07, Ken Taylor <kenichi@sgi.com> wrote:
>   
>> Gerardo and Jeff,
>>
>> That problem appears to be solved.  The runtime (module) environment had
>> conflicts with BLASOPT.  (Our module environment needs to be cleaned
>> up.)
>>
>> Also, I did try rebuilding with the internal BLAS but it was missing
>> cgemm.
>>
>> Thank you both.
>>
>>
>> Ken Taylor
>>
>> -----Original Message-----
>> From: Ken Taylor
>> Sent: Saturday, October 06, 2007 9:55 AM
>> To: 'Gerardo Cisneros'; Jeff Hammond
>> Cc: NWChem Users
>> Subject: RE: [NWCHEM] geom_binvr: dsyev failed?
>>
>> Gerardo and Jeff,
>>
>> Thank you for your help.
>>
>> As Gerardo suspected, it probably is an incompatible BLAS library issue.
>> I need to review the make process and try the tests Jeff suggested.
>>
>>
>>
>>
>> Ken Taylor
>>
>> -----Original Message-----
>> From: Gerardo Cisneros [mailto:gerardo@sgi.com]
>> Sent: Saturday, October 06, 2007 7:56 AM
>> To: Jeff Hammond
>> Cc: NWChem Users; Ken Taylor
>> Subject: Re: [NWCHEM] geom_binvr: dsyev failed?
>>
>> Jeff,
>>
>>     
>>> That happens to me whenever I use a bad BLAS library, i.e. when I run
>>> on AMD64 and use  64-bit double/32-bit integer MKL, or conversely when
>>> I stupidly compile a 64/64 Goto on EM64T.
>>> [...]
>>>       
>> Thanks.  Purportedly it was built with the ILP64
>> version of MKL, but it will have to be checked.
>>
>>     
>>> [...]
>>> I should add that I can run this job well past the geometry part
>>> without an error, so there is  nothing wrong with the input deck or
>>> initial geometry.
>>>       
>> Thanks again.
>>
>> Saludos,
>>
>> Gerardo
>> --
>> Dr. Gerardo Cisneros    |SGI (Silicon Graphics, S.A. de C.V.)
>> Scientist               |Av. Vasco de Quiroga 3000, Col. Santa Fe
>> gerardo@sgi.com         |01210 Mexico, D.F., MEXICO
>> (+52-55)5563-7958       |http://www.sgi.com/
>>
>>
>>     
>
>
>