Dear users and developers, the tests were run on one node of a linux cluster employing 8 cores. Each node is a dual socket blade with two quad core cpus. /proc/cpuinfo says:
processor : 0 vendor_id : GenuineIntel cpu family : 6 model : 23 model name : Intel(R) Xeon(R) CPU E5472 @ 3.00GHz stepping : 6 cpu MHz : 2992.496 cache size : 6144 KB physical id : 0 siblings : 4 core id : 0 cpu cores : 4 fpu : yes fpu_exception : yes cpuid level : 10 wp : yes flags : fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge mca cmov pat pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm syscall nx lm constant_tsc pni monitor ds_cpl vmx est tm2 cx16 xtpr dca lahf_lm bogomips : 5990.08 clflush size : 64 cache_alignment : 64 address sizes : 38 bits physical, 48 bits virtual power management: ... until processor 7 The OS is SUSE Linux Enterprise Server 10 (x86_64), version 10, patchlevel 2. Gromacs was build on this system as I have posted before. Best regards Bernhard Bandow David van der Spoel schrieb: > bandow wrote: >> Dear users and developers of gromacs, >> >> despite checking for the usage of the proper version of tests after >> upgrading to gromacs-4.0.4 the test suite still produces results with >> the status FAILED. This is the case for some tests in kernel, complex, >> and pdb2gmx. >> For example kernel020 fails with > > So how is this done? Hardware, OS, #cpus? > >> /kernel020/checkvir.out containing: >> >> LJ-14 step 0: -63.1209, step 0: 6.50743 >> Potential step 0: -321.601, step 0: -251.973 >> Kinetic En. step 0: 15.0135, step 0: 29.0739 >> Total Energy step 0: -306.588, step 0: -222.899 >> Temperature step 0: 1.93226, step 0: 3.74185 >> Pressure (bar) step 0: -3095.37, step 0: -2497.8 >> Vir-XX step 0: 1127.45, step 0: 1075.85 >> Vir-XY step 0: 63.524, step 0: 21.7767 >> Vir-XZ step 0: -264.813, step 0: -260.354 >> Vir-YX step 0: 63.5241, step 0: 21.7771 >> Vir-YY step 0: 803.252, step 0: 581.703 >> Vir-ZX step 0: -264.813, step 0: -260.355 >> Vir-ZZ step 0: 321.207, step 0: 176.573 >> >> Any hints to locate the reasons for this behavior are appreciated. >> >> Best regards >> >> Bernhard Bandow >> >> -- >> --------------------------------------------------------------------- >> Dr. Bernhard Bandow Phone: +49 511 762 794727 >> Leibniz Universitaet Hannover FAX: +49 511 762 3003 >> RRZN / HLRN Email: ban...@rrzn.uni-hannover.de >> Schlosswender Str. 5 >> D-30159 Hannover http://www.rrzn.uni-hannover.de/ >> Germany http://www.hlrn.de/ >> --------------------------------------------------------------------- >> >> _______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> http://www.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before >> posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php >> _______________________________________________ >> gmx-users mailing list gmx-users@gromacs.org >> http://www.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at http://www.gromacs.org/search before >> posting! >> Please don't post (un)subscribe requests to the list. Use the www >> interface or send it to gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/mailing_lists/users.php > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
