[Wien] WIEN2k_07_executables and AMD Opteron are inconsistent
Laurence Marks
L-marks at northwestern.edu
Tue May 1 19:29:00 CEST 2007
I meant just "write_in1" -- add -ql etc if you are using these flags.
On 5/1/07, Laurence Marks <L-marks at northwestern.edu> wrote:
> You can run the equivalent of the -in1new flag manually by executing
> "write_in1 -ql" at the terminal for a unpolarized case, add "-up" for
> a polarized case. I suspect that this will fail and give you an error
> message, probably related to differences in unix commands (there is no
> real standard for many of the basic unix commands).
>
> N.B., I don't think write_in1 is trapped for errors; perhaps it should
> be in run_lapw.
>
> On 5/1/07, jadhikari at clarku.edu <jadhikari at clarku.edu> wrote:
> > 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
> > >
> > >
> > > ---------------------------------
> > > Ahhh...imagining that irresistible "new car" smell?
> > > Check outnew cars at Yahoo!
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>
>
> --
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> EMM2007 http://ns.crys.ras.ru/EMMM07/
> Commission on Electron Diffraction of IUCR
> www.numis.northwestern.edu/IUCR_CED
>
--
Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60208, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
Web: www.numis.northwestern.edu
EMM2007 http://ns.crys.ras.ru/EMMM07/
Commission on Electron Diffraction of IUCR
www.numis.northwestern.edu/IUCR_CED
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