Re: about colvar module in NAMD

From: Jessen Lucas (jessenlucas0_at_gmail.com)
Date: Wed Feb 01 2017 - 13:01:24 CST

I use the following command
sed -i 's/\r//' Distance.in
then it works now. sorry for wasting your time.

Best regards,
Jessen

2017-02-02 3:00 GMT+08:00 Jessen Lucas <jessenlucas0_at_gmail.com>:

> 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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