[gmx-users] double precision pdb2gmx - 4.5beta2 - segmentation fault - icc compiler (gcc is fine)

2010-08-09 Thread David.Grocutt
Has anyone else tried this ? The single precision version is fine with icc. Thanks David __ Fujitsu Laboratories of Europe Limited Hayes Park Central, Hayes End Road, Hayes,

[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,

[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,