Re: about colvar module in NAMD

From: Jessen Lucas (jessenlucas0_at_gmail.com)
Date: Wed Feb 01 2017 - 13:00:04 CST

Oh, I get that, it is because the input method of the computer. Thanks, I
always think it reply to the list directly. sorry, I do now.

Thank you.
Jessen

2017-02-02 2:49 GMT+08:00 Giacomo Fiorin <giacomo.fiorin_at_gmail.com>:

> Please reply to the list.
>
> The script ./update-colvars-code.sh does not update a binary version of
> NAMD, only the source code, which you need to recompile.
>
> You are also confusing the NAMD version (2.12 is the latest) with the
> architecture.
>
> Lastly, have you checked for any other more informative error messages
> above (see my previous message)? I won't ask you a third time.
>
> Giacomo
>
>
>
>
> On Wed, Feb 1, 2017 at 1:42 PM, Jessen Lucas <jessenlucas0_at_gmail.com>
> wrote:
>
>> Thanks, I am using Linux-x86_64-ibverbs-smp
>> <http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=1500> (InfiniBand
>> plus shared memory, no MPI needed), I guess it is because I did not update
>> the latest version. I am trying to update using ./update-colvars-code.sh
>> /path/to/NAMD/, but it Cannot detect a supported code in the target
>> directory, is it possible update colvar to Linux-x86_64-ibverbs-smp
>> <http://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=1500>
>> version directly?
>>
>> Thank you.
>> Jessen
>>
>>
>> 2017-02-02 2:31 GMT+08:00 Giacomo Fiorin <giacomo.fiorin_at_gmail.com>:
>>
>>> Hi Jessen, the last line is printed by NAMD to tell you which component
>>> the error occurred in, but do you seen any other error messages earlier?
>>>
>>> Also, please include the code version, thanks.
>>>
>>> Giacomo
>>>
>>> On Wed, Feb 1, 2017 at 12:47 PM, Jessen Lucas <jessenlucas0_at_gmail.com>
>>> wrote:
>>>
>>>> Hi,
>>>>
>>>> I am trying the colvar module in NAMD, when I run the test examples on
>>>> github or any example in NAMD tutorial, all tests works. However, when I
>>>> try to modify the colvar configfile, even I change
>>>> colvarsTrajFrequency 200
>>>> to
>>>> colvarsTrajFrequency 100,
>>>> NAMD will tell me Charm++ fatal error:
>>>> FATAL ERROR: Error in the collective variables module: exiting.
>>>>
>>>> Anyone can help me?
>>>> Thanks in advance.
>>>>
>>>> Lucas
>>>>
>>>
>>>
>>
>

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