VMD-L Mailing List

From: menica dibenedetto (domenica.dibenedetto_at_gmail.com)
Date: Tue Dec 13 2011 - 12:13:02 CST

Dear all,
I used the MDEnergy package and it seems to work. I type this command line:
mdenergy -pdb 01_wat.pdb -dcd 800frames_finoa68.dcd -amber 01.prmtop -all
-o out.dat
...but at the and I don't have the output file (even it run) and it return
me the following message-error:

*** glibc detected *** mdenergy: free(): invalid pointer:
0x0000000000822385 ***
======= Backtrace: =========
[0x4c5536]
[0x4c9077]
[0x40aee1]
[0x4231cc]
[0x4a5fd0]
[0x4001b9]
======= Memory map: ========
00400000-00574000 r-xp 00000000 00:15 1074870026
/tmp_mnt/home/ippoliti/PROGRAMS/bin/mdenergy.Linux
00773000-00775000 rw-p 00173000 00:15 1074870026
/tmp_mnt/home/ippoliti/PROGRAMS/bin/mdenergy.Linux
00775000-06dea000 rw-p 00000000 00:00 0
 [heap]
7f738c000000-7f738c028000 rw-p 00000000 00:00 0
7f738c028000-7f7390000000 ---p 00000000 00:00 0
7f739378a000-7f7393c0b000 rw-p 00000000 00:00 0
7f739464e000-7f73949d3000 rw-p 00000000 00:00 0
7f7395058000-7f7395061000 rw-p 00000000 00:00 0
7fff914d8000-7fff914ed000 rw-p 00000000 00:00 0
 [stack]
7fff9159d000-7fff9159e000 r-xp 00000000 00:00 0
 [vdso]
ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0
 [vsyscall]
Aborted

Any suggestion?
Best regards
Domenica Dibenedetto