[Wien] WIEN2k_07_executables and AMD Opteron are inconsistent

jadhikari@clarku.edu jadhikari at clarku.edu
Tue May 1 17:00:41 CEST 2007


Dear all,

I am having exactly the same problem with Operton and new version.

Subin

> Dear WIEN2k group,
>   We reported a problem concerning the last line of the in1 file last
> Sunday. Since we have not received any response, we suspect that our
> given information was not enough. Therefore here we would give more
> information. Hope this time we receive some comments from you. We are
> running the latest version of the code using the
> WIEN2k_07_executables.tar file. The last line of the case.in1 file,
> K-VECTORS FROM UNIT:4   -9.0       2.0      emin/emax window, is
> truncated after some iterations in the case of including in1new flag. In
> order to make sure, we have run several cases. For each case two kinds
> of calculations are performed. One kind is performed taking into account
> the in1new flag. For the second kind the in1new is switched off.  The
> calculations for all the cases including in1new flag are stopped with
> similar error due to the incomplete in1 file. However, all the cases
> without in1new flag are performed completely. We repeat these
> calculations in single and parallel
>  modes, and found that the error is independent of the mode of
> calculations, namely on the single mode the same problem is occurred. We
> performed similar calculations, i.e., similar executable version of the
> code and similar cases, on a P IV and found that there is no any problem
> concerning the in1new flag there. We repeated these calculations on a
> Xeon machine in both modes of single and parallel using shared memory
> considered in siteconfig_lapw. Here for the case of Xeon similar to P IV
> everything is also okay independent of the modes of calculations as well
> as our in1new flag.
>   However, we would run on the cluster performing more precise
> calculations by keeping the in1new flag. But we cannot do this, because
> it is impossible, at the present time, for us to compile the program on
> the cluster. Then we will be indebted, if you reproduce the
> WIEN2k_07_executables.tar file so that we can linearize the energies
> switching on the in1new on our cluster, AMD Opteron(tm) Processor.
> Obviously, this is not an optimum using of the cluster, but we can
> survive with it at least for some time.
>
>   In summery, this is a report which shows that the executable wien2k
> cannot continuously perform linearization on AMD Opteron Processor.
>   Just for your information the cpu information of the above mentioned
> three systems are appended:
>   ------------ AMD Opteron(tm) Processor---------------------
>   processor       : 0
>   vendor_id       : AuthenticAMD
>   cpu family      : 15
>   model           : 5
>   model name      : AMD Opteron(tm) Processor 250
>   stepping        : 10
>   cpu MHz         : 2405.522
>   cache size      : 1024 KB
>   fpu             : yes
>   fpu_exception   : yes
>   cpuid level     : 1
>   wp              : yes
>   flags           : fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge
> mca cmov pat pse36 clflush mmx fxsr sse sse2 syscall nx mmxext lm
> 3dnowext 3dnow
>   bogomips        : 4815.10
>   TLB size        : 1024 4K pages
>   clflush size    : 64
>   cache_alignment : 64
>   address sizes   : 40 bits physical, 48 bits virtual
>   power management: ts fid vid ttp
>    processor       : 1
>   vendor_id       : AuthenticAMD
>   cpu family      : 15
>   model           : 5
>   model name      : AMD Opteron(tm) Processor 250
>   stepping        : 10
>   cpu MHz         : 2405.522
>   cache size      : 1024 KB
>   fpu             : yes
>   fpu_exception   : yes
>   cpuid level     : 1
>   wp              : yes
>   flags           : fpu vme de pse tsc msr pae mce cx8 apic sep mtrr pge
> mca cmov pat pse36 clflush mmx fxsr sse sse2 syscall nx mmxext lm
> 3dnowext 3dnow
>   bogomips        : 4811.05
>   TLB size        : 1024 4K pages
>   clflush size    : 64
>   cache_alignment : 64
>   address sizes   : 40 bits physical, 48 bits virtual
>   power management: ts fid vid ttp
>   --------------------------------------
> Xeon------------------------------------
>   processor       : 0
>   vendor_id       : GenuineIntel
>   cpu family      : 15
>   model           : 4
>   model name      :                   Intel(R) Xeon(TM) CPU 3.20GHz
>   stepping        : 1
>   cpu MHz         : 3200.216
>   cache size      : 1024 KB
>   fpu             : yes
>   fpu_exception   : yes
>   cpuid level     : 5
>   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
> lm constant_tsc pni monitor ds_cpl cid cx16 xtpr
>   bogomips        : 6404.94
>   clflush size    : 64
>   cache_alignment : 128
>   address sizes   : 36 bits physical, 48 bits virtual
>   power management:
>   processor       : 1
>   vendor_id       : GenuineIntel
>   cpu family      : 15
>   model           : 4
>   model name      :                   Intel(R) Xeon(TM) CPU 3.20GHz
>   stepping        : 1
>   cpu MHz         : 3200.216
>   cache size      : 1024 KB
>   fpu             : yes
>   fpu_exception   : yes
>   cpuid level     : 5
>   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
> lm constant_tsc pni monitor ds_cpl cid cx16 xtpr
>   bogomips        : 6400.66
>   clflush size    : 64
>   cache_alignment : 128
>   address sizes   : 36 bits physical, 48 bits virtual
>   power management:
>    ----------------------- Intel(R) Pentium(R)
> 4---------------------------------------
>   processor       : 0
>   vendor_id       : GenuineIntel
>   model name      : Intel(R) Pentium(R) 4 CPU 2.80GHz
>   stepping        : 3
>   cpu MHz         : 2813.578
>   cache size      : 1024 KB
>   fpu             : yes
>   fpu_exception   : 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
>   bogomips        : 5609.88
>
>   processor       : 1
>   vendor_id       : GenuineIntel
>   cpu family      : 15
>   model           : 3
>   model name      : Intel(R) Pentium(R) 4 CPU 2.80GHz
>   stepping        : 3
>   cpu MHz         : 2813.578
>   cache size      : 1024 KB
>   Morteza  Rafiee
>
>
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