They were all GNU. GCC and GFORTRAN. A friend researcher of mine used
PGI with 1.4 version of AmberTools and obtained the same error.
On Thu, Apr 29, 2010 at 2:33 AM, Mengjuei Hsieh <mjhsieh.gmail.com> wrote:
> 2010/4/28 Joćo Henriques <joao.henriques.32353.gmail.com>:
>> It's really confusing. This leads me to suspect that
>> the file size is prohibitive, but if that's the case why isn't there
>> anything written about this on the manual or something. Since I have
>> 99 atoms and I'm calculating the esp with B3LYP/Gen (6-31G(d) and
>> LANL2TZ(f)) with SCF=Tight, Pop(MK,ReadRadii,Full) and
>> IOp(6/33=2,6/41=10,6/42=17) I might have too much points too compute
>> with resp... But again I'm just guessing!
>
> Hi, it is indeed intriguing, what compilers are you using for
> AmberTools? Knowing the kind of compilers might help developers
> tracking down the issues.
>
> Best,
> --
> Mengjuei
>
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Received on Thu Apr 29 2010 - 04:30:06 PDT
