[gmx-users] g_mmpbsa

elham tazikeh elham.tazikeh at gmail.com
Tue Aug 4 21:41:10 CEST 2015


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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