[AMBER-Developers] Possible testing issue for 64 vs 32 bit architecture

From: <wmsmith.uci.edu>
Date: Thu, 14 Mar 2013 16:08:28 -0700

Hello all,
  I am trying to finish putting together my test case for pbsa membrane
routines.

 I am having trouble getting one of the test cases to pass consistently on
both 32 and 64 bit machines.

Apparently, the norm of the residual vector and convergence reported
differ by enough to trigger a "possible FAILURE" to be reported.

Other than that the two output files are indistinguishable (except timing
of course since the 64 bit machine has a faster processor). E.g. all
energies, etc. match exactly

This error persists even if working off of a clean pull from the pbsa_dev
branch on both machines, so the code for the source files is identical on
both machines.

Has anyone else experienced this issue as well (or anything similar), and
if so, do you have any idea how to go about fixing it?

For reference, I've included the .dif file and the cpuinfo of the two
machines.

-Wes

(output of the .dif file is below)
727c727
< Norm of the residual vector: 0.2221695704888
> Norm of the residual vector: 0.1888190136109
728c728
< Convergence achieved : 9.2334949083944043E-7
> Convergence achieved : 7.8474266162917707E-7
### Maximum absolute error in matching lines = 3.34e-02 at line 727 field 6
### Maximum relative error in matching lines = 1.77e-01 at line 728 field 4

Here is the cat /proc/cpuinfo for the 32-bit Ubuntu machine:
processor : 0
vendor_id : GenuineIntel
cpu family : 6
model : 58
model name : Intel(R) Core(TM) i5-3470 CPU . 3.20GHz
stepping : 9
microcode : 0x12
cpu MHz : 1600.000
cache size : 6144 KB
physical id : 0
siblings : 4
core id : 0
cpu cores : 4
apicid : 0
initial apicid : 0
fdiv_bug : no
hlt_bug : no
f00f_bug : no
coma_bug : no
fpu : yes
fpu_exception : yes
cpuid level : 13
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 pbe nx rdtscp lm
constant_tsc arch_perfmon pebs bts xtopology nonstop_tsc aperfmperf pni
pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 cx16 xtpr pdcm pcid
sse4_1 sse4_2 x2apic popcnt tsc_deadline_timer aes xsave avx f16c rdrand
lahf_lm ida arat epb xsaveopt pln pts dtherm tpr_shadow vnmi flexpriority
ept vpid fsgsbase smep erms
bogomips : 6385.68
clflush size : 64
cache_alignment : 64
address sizes : 36 bits physical, 48 bits virtual
power management:

processor : 1
vendor_id : GenuineIntel
cpu family : 6
model : 58
model name : Intel(R) Core(TM) i5-3470 CPU . 3.20GHz
stepping : 9
microcode : 0x12
cpu MHz : 3201.000
cache size : 6144 KB
physical id : 0
siblings : 4
core id : 1
cpu cores : 4
apicid : 2
initial apicid : 2
fdiv_bug : no
hlt_bug : no
f00f_bug : no
coma_bug : no
fpu : yes
fpu_exception : yes
cpuid level : 13
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 pbe nx rdtscp lm
constant_tsc arch_perfmon pebs bts xtopology nonstop_tsc aperfmperf pni
pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 cx16 xtpr pdcm pcid
sse4_1 sse4_2 x2apic popcnt tsc_deadline_timer aes xsave avx f16c rdrand
lahf_lm ida arat epb xsaveopt pln pts dtherm tpr_shadow vnmi flexpriority
ept vpid fsgsbase smep erms
bogomips : 6385.19
clflush size : 64
cache_alignment : 64
address sizes : 36 bits physical, 48 bits virtual
power management:

processor : 2
vendor_id : GenuineIntel
cpu family : 6
model : 58
model name : Intel(R) Core(TM) i5-3470 CPU . 3.20GHz
stepping : 9
microcode : 0x12
cpu MHz : 1600.000
cache size : 6144 KB
physical id : 0
siblings : 4
core id : 2
cpu cores : 4
apicid : 4
initial apicid : 4
fdiv_bug : no
hlt_bug : no
f00f_bug : no
coma_bug : no
fpu : yes
fpu_exception : yes
cpuid level : 13
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 pbe nx rdtscp lm
constant_tsc arch_perfmon pebs bts xtopology nonstop_tsc aperfmperf pni
pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 cx16 xtpr pdcm pcid
sse4_1 sse4_2 x2apic popcnt tsc_deadline_timer aes xsave avx f16c rdrand
lahf_lm ida arat epb xsaveopt pln pts dtherm tpr_shadow vnmi flexpriority
ept vpid fsgsbase smep erms
bogomips : 6385.19
clflush size : 64
cache_alignment : 64
address sizes : 36 bits physical, 48 bits virtual
power management:

processor : 3
vendor_id : GenuineIntel
cpu family : 6
model : 58
model name : Intel(R) Core(TM) i5-3470 CPU . 3.20GHz
stepping : 9
microcode : 0x12
cpu MHz : 1600.000
cache size : 6144 KB
physical id : 0
siblings : 4
core id : 3
cpu cores : 4
apicid : 6
initial apicid : 6
fdiv_bug : no
hlt_bug : no
f00f_bug : no
coma_bug : no
fpu : yes
fpu_exception : yes
cpuid level : 13
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 pbe nx rdtscp lm
constant_tsc arch_perfmon pebs bts xtopology nonstop_tsc aperfmperf pni
pclmulqdq dtes64 monitor ds_cpl vmx smx est tm2 ssse3 cx16 xtpr pdcm pcid
sse4_1 sse4_2 x2apic popcnt tsc_deadline_timer aes xsave avx f16c rdrand
lahf_lm ida arat epb xsaveopt pln pts dtherm tpr_shadow vnmi flexpriority
ept vpid fsgsbase smep erms
bogomips : 6385.19
clflush size : 64
cache_alignment : 64
address sizes : 36 bits physical, 48 bits virtual


Here is the cat /proc/cpuinfo for the 64-bit ROCKS machine (front-end node):
processor : 0
vendor_id : GenuineIntel
cpu family : 6
model : 23
model name : Intel(R) Xeon(R) CPU E5405 . 2.00GHz
stepping : 6
cpu MHz : 1995.222
cache size : 6144 KB
physical id : 0
siblings : 4
core id : 0
cpu cores : 4
apicid : 0
initial apicid : 0
fpu : yes
fpu_exception : yes
cpuid level : 10
wp : yes
flags : fpu vme de pse tsc msr pae mce cx8 apic mtrr pge mca cmov pat
pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx lm
constant_tsc arch_perfmon pebs bts rep_good aperfmperf pni dtes64 monitor
ds_cpl vmx tm2 ssse3 cx16 xtpr pdcm dca sse4_1 lahf_lm dts tpr_shadow vnmi
flexpriority
bogomips : 3990.44
clflush size : 64
cache_alignment : 64
address sizes : 38 bits physical, 48 bits virtual
power management:

processor : 1
vendor_id : GenuineIntel
cpu family : 6
model : 23
model name : Intel(R) Xeon(R) CPU E5405 . 2.00GHz
stepping : 6
cpu MHz : 1995.222
cache size : 6144 KB
physical id : 1
siblings : 4
core id : 0
cpu cores : 4
apicid : 4
initial apicid : 4
fpu : yes
fpu_exception : yes
cpuid level : 10
wp : yes
flags : fpu vme de pse tsc msr pae mce cx8 apic mtrr pge mca cmov pat
pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx lm
constant_tsc arch_perfmon pebs bts rep_good aperfmperf pni dtes64 monitor
ds_cpl vmx tm2 ssse3 cx16 xtpr pdcm dca sse4_1 lahf_lm dts tpr_shadow vnmi
flexpriority
bogomips : 3989.84
clflush size : 64
cache_alignment : 64
address sizes : 38 bits physical, 48 bits virtual
power management:

processor : 2
vendor_id : GenuineIntel
cpu family : 6
model : 23
model name : Intel(R) Xeon(R) CPU E5405 . 2.00GHz
stepping : 6
cpu MHz : 1995.222
cache size : 6144 KB
physical id : 0
siblings : 4
core id : 2
cpu cores : 4
apicid : 2
initial apicid : 2
fpu : yes
fpu_exception : yes
cpuid level : 10
wp : yes
flags : fpu vme de pse tsc msr pae mce cx8 apic mtrr pge mca cmov pat
pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx lm
constant_tsc arch_perfmon pebs bts rep_good aperfmperf pni dtes64 monitor
ds_cpl vmx tm2 ssse3 cx16 xtpr pdcm dca sse4_1 lahf_lm dts tpr_shadow vnmi
flexpriority
bogomips : 3989.83
clflush size : 64
cache_alignment : 64
address sizes : 38 bits physical, 48 bits virtual
power management:

processor : 3
vendor_id : GenuineIntel
cpu family : 6
model : 23
model name : Intel(R) Xeon(R) CPU E5405 . 2.00GHz
stepping : 6
cpu MHz : 1995.222
cache size : 6144 KB
physical id : 1
siblings : 4
core id : 2
cpu cores : 4
apicid : 6
initial apicid : 6
fpu : yes
fpu_exception : yes
cpuid level : 10
wp : yes
flags : fpu vme de pse tsc msr pae mce cx8 apic mtrr pge mca cmov pat
pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx lm
constant_tsc arch_perfmon pebs bts rep_good aperfmperf pni dtes64 monitor
ds_cpl vmx tm2 ssse3 cx16 xtpr pdcm dca sse4_1 lahf_lm dts tpr_shadow vnmi
flexpriority
bogomips : 3989.83
clflush size : 64
cache_alignment : 64
address sizes : 38 bits physical, 48 bits virtual
power management:

processor : 4
vendor_id : GenuineIntel
cpu family : 6
model : 23
model name : Intel(R) Xeon(R) CPU E5405 . 2.00GHz
stepping : 6
cpu MHz : 1995.222
cache size : 6144 KB
physical id : 0
siblings : 4
core id : 1
cpu cores : 4
apicid : 1
initial apicid : 1
fpu : yes
fpu_exception : yes
cpuid level : 10
wp : yes
flags : fpu vme de pse tsc msr pae mce cx8 apic mtrr pge mca cmov pat
pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx lm
constant_tsc arch_perfmon pebs bts rep_good aperfmperf pni dtes64 monitor
ds_cpl vmx tm2 ssse3 cx16 xtpr pdcm dca sse4_1 lahf_lm dts tpr_shadow vnmi
flexpriority
bogomips : 3989.85
clflush size : 64
cache_alignment : 64
address sizes : 38 bits physical, 48 bits virtual
power management:

processor : 5
vendor_id : GenuineIntel
cpu family : 6
model : 23
model name : Intel(R) Xeon(R) CPU E5405 . 2.00GHz
stepping : 6
cpu MHz : 1995.222
cache size : 6144 KB
physical id : 1
siblings : 4
core id : 1
cpu cores : 4
apicid : 5
initial apicid : 5
fpu : yes
fpu_exception : yes
cpuid level : 10
wp : yes
flags : fpu vme de pse tsc msr pae mce cx8 apic mtrr pge mca cmov pat
pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx lm
constant_tsc arch_perfmon pebs bts rep_good aperfmperf pni dtes64 monitor
ds_cpl vmx tm2 ssse3 cx16 xtpr pdcm dca sse4_1 lahf_lm dts tpr_shadow vnmi
flexpriority
bogomips : 3989.85
clflush size : 64
cache_alignment : 64
address sizes : 38 bits physical, 48 bits virtual
power management:

processor : 6
vendor_id : GenuineIntel
cpu family : 6
model : 23
model name : Intel(R) Xeon(R) CPU E5405 . 2.00GHz
stepping : 6
cpu MHz : 1995.222
cache size : 6144 KB
physical id : 0
siblings : 4
core id : 3
cpu cores : 4
apicid : 3
initial apicid : 3
fpu : yes
fpu_exception : yes
cpuid level : 10
wp : yes
flags : fpu vme de pse tsc msr pae mce cx8 apic mtrr pge mca cmov pat
pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx lm
constant_tsc arch_perfmon pebs bts rep_good aperfmperf pni dtes64 monitor
ds_cpl vmx tm2 ssse3 cx16 xtpr pdcm dca sse4_1 lahf_lm dts tpr_shadow vnmi
flexpriority
bogomips : 3989.82
clflush size : 64
cache_alignment : 64
address sizes : 38 bits physical, 48 bits virtual
power management:

processor : 7
vendor_id : GenuineIntel
cpu family : 6
model : 23
model name : Intel(R) Xeon(R) CPU E5405 . 2.00GHz
stepping : 6
cpu MHz : 1995.222
cache size : 6144 KB
physical id : 1
siblings : 4
core id : 3
cpu cores : 4
apicid : 7
initial apicid : 7
fpu : yes
fpu_exception : yes
cpuid level : 10
wp : yes
flags : fpu vme de pse tsc msr pae mce cx8 apic mtrr pge mca cmov pat
pse36 clflush dts acpi mmx fxsr sse sse2 ss ht tm pbe syscall nx lm
constant_tsc arch_perfmon pebs bts rep_good aperfmperf pni dtes64 monitor
ds_cpl vmx tm2 ssse3 cx16 xtpr pdcm dca sse4_1 lahf_lm dts tpr_shadow vnmi
flexpriority
bogomips : 3989.84
clflush size : 64
cache_alignment : 64
address sizes : 38 bits physical, 48 bits virtual
power management:



_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Thu Mar 14 2013 - 16:30:02 PDT
Custom Search