[Wien] WIEN2k_07_executables and AMD Opteron are inconsistent

[morteza rafiee]

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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