Re: [gmx-users] Double Precision Gromacs 4.5 beta 2 on Intel Xeon Woodcrest

2010-08-10 Thread Rossen Apostolov
Hi, This bug is now fixed in git release-4-5-patches (commit 0a31a047f429). Rossen On 8/6/10 11:33 AM, david.groc...@uk.fujitsu.com wrote: Hi, this is the first time I have messaged this group, so please bear with me. I have had little trouble with previous versions (4.0.7 for example),

[gmx-users] Double Precision Gromacs 4.5 beta 2 on Intel Xeon Woodcrest

2010-08-09 Thread David.Grocutt
Hi, this is the first time I have messaged this group, so please bear with me. I have had little trouble with previous versions (4.0.7 for example), however with this version the pdb2gmx program gives a segmentation fault error if run stand-alone, even with no input. When compiled with debug,

Re: [gmx-users] Double Precision Gromacs 4.5 beta 2 on Intel Xeon Woodcrest

2010-08-09 Thread Mark Abraham
- Original Message - From: david.groc...@uk.fujitsu.com Date: Tuesday, August 10, 2010 1:25 Subject: [gmx-users] Double Precision Gromacs 4.5 beta 2 on Intel Xeon Woodcrest To: gmx-users@gromacs.org Hi, this is the first time I have messaged this group, so please bear with me. I

[gmx-users] Double Precision Gromacs 4.5 beta 2 on Intel Xeon Woodcrest

2010-08-06 Thread David.Grocutt
Hi, this is the first time I have messaged this group, so please bear with me. I have had little trouble with previous versions (4.0.7 for example), however with this version the pdb2gmx program gives a segmentation fault error if run stand-alone, even with no input. When compiled with debug,

Re: [gmx-users] Double Precision Gromacs 4.5 beta 2 on Intel Xeon Woodcrest

2010-08-06 Thread Roland Schulz
Hi, I can reproduce it. Probably won't have time till Monday to look at the reason. Roland On Fri, Aug 6, 2010 at 5:33 AM, david.groc...@uk.fujitsu.com wrote: Hi, this is the first time I have messaged this group, so please bear with me. I have had little trouble with previous versions