Hi Dan and Amber users,
I've been compiling the latest version of AmberTools on a Mac machine with
Snow Leopard.
I have a follow-up question about compiling AmberTools and running tests:
I've been running the tests in
usr/local/amber11/AmberTools/test/ptraj_comprehensive and this is my output:
ptraj: Test multiple ptraj actions.
diffing dist_end_to_end.list.save with dist_end_to_end.list
PASSED
==============================================================
diffing omega.save with omega
PASSED
==============================================================
diffing phi.save with phi
PASSED
==============================================================
diffing psi.save with psi
PASSED
==============================================================
diffing watershell.list.save with watershell.list
PASSED
==============================================================
diffing test.mdcrd.save with test.mdcrd
PASSED
==============================================================
ptraj was not built with NetCDF support - skipping this test.
Is it a problem that ptraj was not built with NetCDF support?
Thank you all, and have a great weekend,
Kamali Sripathi
On Sun, May 8, 2011 at 8:33 AM, Kamali Sripathi <ksripath.umich.edu> wrote:
> Hi Dan,
>
> Thanks a lot for your opinion. I have the feedout that the terminal window
> gave me when AmberTools was being compiled, but I was wondering how to check
> the error logs and diffs that you were talking about?
>
> Thanks again, Dan, and have a great weekend,
>
> Kamali
>
>
> On Sun, May 8, 2011 at 12:06 AM, Daniel Roe <daniel.r.roe.gmail.com>wrote:
>
>> Hi,
>>
>> It depends on what the errors and warnings are. Check the error logs
>> and diffs to see what functionality the test was checking (e.g. if it
>> was a test for running nmode but you don't need nmode functionality
>> that might be ok), also check to see that the reported error isn't an
>> innocuous one like round-off (e.g. 4.1324 vs 4.1325 or something).
>>
>> For more detailed help it may be useful for you to post the actual
>> errors/diffs to the amber mailing list (there are certainly people who
>> are a lot more knowledgeable than I am on there!).
>>
>> -Dan
>>
>> On Sat, May 7, 2011 at 11:55 AM, Kamali Sripathi <ksripath.umich.edu>
>> wrote:
>> > Hi Dan,
>> >
>> > I spoke to you a few months ago about installing AmberTools on my Mac.
>> > Everything is working fine, but as I looked at the directions on
>> > http://amberonmac.blogspot.com/2010_05_01_archive.html, I realized that
>> I
>> > think, after compilation, I had something like 2 errors and two
>> warnings.
>> > Will these errors and warnings affect my output, or does it mean that
>> > certain suites within AmberTools just won't work for me? Sorry for the
>> vague
>> > questions, Dan; I'll try to be more specific if you need.
>> >
>> > Have a great weekend,
>> >
>> > Kamali Sripathi
>> >
>> > On Fri, Feb 11, 2011 at 1:27 PM, Kamali Sripathi <ksripath.umich.edu>
>> wrote:
>> >>
>> >>
>> >> On Fri, Feb 11, 2011 at 11:00 AM, Daniel Roe <daniel.r.roe.gmail.com>
>> >> wrote:
>> >>>
>> >>> Hi,
>> >>>
>> >>>
>> >>> No problem. Let me know if you have any more issues.
>> >>>
>> >>
>> >> Definitely. Thanks again, and have a great weekend!
>> >> Kamali
>> >
>> >
>> >
>> >
>>
>>
>>
>
>
>
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Received on Sun May 08 2011 - 06:00:03 PDT
