On Thu, Jan 24, 2013 at 7:09 PM, Christoph Junghans wrote:
> > Date: Thu, 24 Jan 2013 01:07:04 +0100
> > From: Szil?rd P?ll
> > Subject: Re: [gmx-users] Problem with gromacs-4.6 compilation on
> > Debian
> > To: Discussion list for
> Date: Thu, 24 Jan 2013 15:55:13 +0100
> From: Szil?rd P?ll
> Subject: Re: [gmx-users] Problem with gromacs-4.6 compilation on
> Debian
> To: Discussion list for GROMACS users
> Message-ID:
>
> Content-Type: text/plain; charset=ISO-8859-1
>
&
On Thu, Jan 24, 2013 at 6:48 PM, James Starlight wrote:
> Justin, Szilárd, thanks for suggestion!
>
> It will be easily for me to found a better card :)
>
> By the way in other topics some developments told me that the Plumed
> plugin for methadynamics will be realised in gromacs 4.6. I've checked
> Date: Thu, 24 Jan 2013 01:07:04 +0100
> From: Szil?rd P?ll
> Subject: Re: [gmx-users] Problem with gromacs-4.6 compilation on
> Debian
> To: Discussion list for GROMACS users
> Message-ID:
>
> Content-Type: text/plain; charset=ISO-8859-1
>
>
Justin, Szilárd, thanks for suggestion!
It will be easily for me to found a better card :)
By the way in other topics some developments told me that the Plumed
plugin for methadynamics will be realised in gromacs 4.6. I've checked
for it in manual but could not find any notions about it . Have it
Let me add two more things.
Note that we *always* compare performance and acceleration to our
super-tuned state-of-the-art CPU code, which I can confidently say that is
among the fastest if not the fastest to date, and never to some slow (CPU)
implementation. Therefore, while other codes might be
On Thu, Jan 24, 2013 at 3:28 PM, Justin Lemkul wrote:
>
>
> On 1/24/13 9:23 AM, James Starlight wrote:
>
>> oh that was simply solved by upgrading of G++ :)
>>
>> the only problem which remains is the missing of support of mu GPU :(
>> That time I've tried to start simulation on simply 2 cores CP
On 1/24/13 9:23 AM, James Starlight wrote:
oh that was simply solved by upgrading of G++ :)
the only problem which remains is the missing of support of mu GPU :(
That time I've tried to start simulation on simply 2 cores CPU + geforce 9500
From md run I've obtained
NOTE: Error occurred dur
ectly fine solution if you get
>> the new (enough version of the) standard C++ library by doing so.
>>
>> Just wanted to clarify this for users bumping into this issue later.
>>
>> Cheers,
>>
>> --
>> Szilárd
>>
>>
>> On Wed, Jan
ify this for users bumping into this issue later.
>
> Cheers,
>
> --
> Szilárd
>
>
> On Wed, Jan 23, 2013 at 5:47 PM, Ricardo wrote:
>
>> On 01/22/2013 06:02 PM, Christoph Junghans wrote:
>>
>>> Message: 5
>>>> Date: Tue, 22 Jan 2013 19:42:01 +0100
&g
ge: 5
>>> Date: Tue, 22 Jan 2013 19:42:01 +0100
>>> From: Szil?rd P?ll
>>> Subject: Re: [gmx-users] Problem with gromacs-4.6 compilation on
>>> Debian
>>> To: Discussion list for GROMACS users
>>> Message-ID:
>>> >>
On 01/22/2013 06:02 PM, Christoph Junghans wrote:
Message: 5
Date: Tue, 22 Jan 2013 19:42:01 +0100
From: Szil?rd P?ll
Subject: Re: [gmx-users] Problem with gromacs-4.6 compilation on
Debian
To: Discussion list for GROMACS users
Message-ID:
Content-Type: text/plain; charset=ISO
> Message: 5
> Date: Tue, 22 Jan 2013 19:42:01 +0100
> From: Szil?rd P?ll
> Subject: Re: [gmx-users] Problem with gromacs-4.6 compilation on
> Debian
> To: Discussion list for GROMACS users
> Message-ID:
>
> Content-Type: text/plain; charset=ISO-8859
Szilárd,
thanks for suggestion. Indeed I've noticed that versions of all
packages in classic debian are older in comparison to debian mint (
despite I've done maximum upgrade of the system via apt). Tomorrow
I'll try to install newest gcc and glibc and re-install gromacs.
James
2013/1/22 Szilár
On Tue, Jan 22, 2013 at 12:45 PM, James Starlight wrote:
> Szilárd,
>
> Today I've tried to re-install cuda+gromacs and do apt-get
> distr-upgrade but the same error was obtained during gromacs
>
I'm don't see how does the distribution upgrade relate to the issues you
had (except if you have upda
Szilárd,
Today I've tried to re-install cuda+gromacs and do apt-get
distr-upgrade but the same error was obtained during gromacs
compilation. By the way where I could provide --add-needed option ?
James
2013/1/21 Szilárd Páll :
> Szilárd
--
gmx-users mailing listgmx-users@gromacs.org
http:
Hi,
Not sure why, but it looks like libcudart.so is linked against a glibc that
not compatible with what you have (perhaps much newer)?
Alternatively you could try adding "--add-needed" to the linker flags, but
I doubt it will help.
Cheers,
--
Szilárd
On Mon, Jan 21, 2013 at 5:09 PM, James St
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