Re: [OpenBabel-Devel] git version of OB broken?

2015-07-15 Thread David van der Spoel
On 15/07/15 19:29, Geoffrey Hutchison wrote: >> Forget this for now, it may be an apple issue anyway as it does work on >> Linux contrary to what I stated earlier. > > I'm using Mac / Clang and can't reproduce this. I know David Koes also > develops on Mac. > > Did you run "make install" on Mac? H

Re: [OpenBabel-Devel] git version of OB broken?

2015-07-15 Thread Geoffrey Hutchison
> Forget this for now, it may be an apple issue anyway as it does work on > Linux contrary to what I stated earlier. I'm using Mac / Clang and can't reproduce this. I know David Koes also develops on Mac. Did you run "make install" on Mac? Have you tried clang instead of gcc-4.8? -Geoff --

Re: [OpenBabel-Devel] git version of OB broken?

2015-07-15 Thread David van der Spoel
On 12/07/15 14:32, David van der Spoel wrote: > Hi, > > I compiled a fresh OB clone but get SEGV on a number of programs, > including babel. > % babel -ig98 decane-g4.log -osdf koko.sdf > Segmentation fault Forget this for now, it may be an apple issue anyway as it does work on Linux contrary to

Re: [OpenBabel-Devel] git version of OB broken?

2015-07-13 Thread David van der Spoel
On 13/07/15 10:35, Noel O'Boyle wrote: > Can you provide a test case? http://folding.bmc.uu.se/decane-g4.log.gz > > On 12 July 2015 at 13:32, David van der Spoel wrote: >> Hi, >> >> I compiled a fresh OB clone but get SEGV on a number of programs, >> including babel. >> % babel -ig98 decane-g4.l

Re: [OpenBabel-Devel] git version of OB broken?

2015-07-13 Thread Noel O'Boyle
Can you provide a test case? On 12 July 2015 at 13:32, David van der Spoel wrote: > Hi, > > I compiled a fresh OB clone but get SEGV on a number of programs, > including babel. > % babel -ig98 decane-g4.log -osdf koko.sdf > Segmentation fault > > and > > % valgrind !! > valgrind babel -ig98 decan

Re: [OpenBabel-Devel] git version of OB broken?

2015-07-13 Thread David van der Spoel
It seems the error below was introduced by this commit according to git bisect commit d34579511061a09ac7ea873294fa85c3eaff875e Author: dkoes Date: Sun Jun 14 15:21:05 2015 -0400 On 12/07/15 14:32, David van der Spoel wrote: > Hi, > > I compiled a fresh OB clone but get SEGV on a number of p

[OpenBabel-Devel] git version of OB broken?

2015-07-12 Thread David van der Spoel
Hi, I compiled a fresh OB clone but get SEGV on a number of programs, including babel. % babel -ig98 decane-g4.log -osdf koko.sdf Segmentation fault and % valgrind !! valgrind babel -ig98 decane-g4.log -osdf koko.sdf ==27734== Memcheck, a memory error detector ==27734== Copyright (C) 2002-2012,