[gmx-users] g_mmpbsa

[Leandro Bortot]

Hi,

     I'm currently using g_mmpbsa without issues. I installed it from the
source-code following the instructions in their website.

     Your error output is "Setting option -pdie more than once!Illegal
instruction". Try using it without the option "-pdie", since it is likely
already inside the pbsa.mdp file


Best regards,
Leandro



On Tue, Aug 4, 2015 at 4:41 PM, elham tazikeh <elham.tazikeh at gmail.com>
wrote:

> Hi,
>  I am new to g_mmpbsa and need some help. I have downloaded very latest
> 64bit binaries. My machine is 64bit and has ubuntu 14.04. There is problem
> in binary, I am getting 'core dumped' error all the time. It says: "Illegal
> instruction (core dumped)". For example, if I run a test
> :--------------------------------------------- pdfco at pdfco-X
> :~/bindingEnergy$
> g_mmpbsa -f 1EBZ.xtc -s 1EBZ.tpr -n 1EBZ.ndx -i ../pbsa.mdp -pdie 2 -pbsa
> -decomp
> :-)  g_mmpbsa
> (-:
> Authors: Rashmi Kumari and Andrew Lynn
> Contribution: Rajendra
> Kumar
> Copyright (C) 2013, 2014  Rashmi Kumari and Andrew
> Lynn
>                g_mmpbsa
> is free software: you can redistribute it and/or modify        it under the
> terms of the GNU General Public License as published by    the Free
> Software Foundation, either version 3 of the License, or       (at your
> option) any later
> version.
>                                               g_mmpbsa
> is distributed in the hope that it will be useful,             but WITHOUT
> ANY WARRANTY; without even the implied warranty of          MERCHANTABILITY
> or FITNESS FOR A PARTICULAR PURPOSE.  See the           GNU General Public
> License for more
> details.
>                                      You
> should have received a copy of the GNU General Public License       along
> with g_mmpbsa.  If not, see <http://www.gnu.org/licenses/>.      ;
>
> THIS
> SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS     "AS IS"
> AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT     LIMITED TO,
> THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR   A PARTICULAR
> PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT    OWNER OR
> CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,   SPECIAL,
> EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITEDTO,
> PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA,
> OR  PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY
> OF  LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
> (INCLUDING    NEGLIGENCE OR OTH
> ERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS      SOFTWARE, EVEN IF
> ADVISED OF THE POSSIBILITY OF SUCH
> DAMAGE.
> :-)  g_mmpbsa (-:
>   Setting option -pdie more than once!Illegal instruction (core dumped)
>
> please advise me as soon as possible
> Regards
> Elham
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