Hey All,
Just got my new system up and running:
Ubuntu 12.04
gnu fortran etc.
mpich2
Nvidia Driver 295.49
Nvidia GeForce 690 (has 2 cores)
Everything compiles fine (serial, parallel, cuda, cuda parallel)
But with make test on the cuda and cuda.MPI install I get errors that are
there, but small. Need I be concerned? If so, what suggestions are there
out there?
I know the differences are small, but I figured I better check.
logs/test_amber_cuda/2012-09-05_17-33-35.diff
possible FAILURE: check nucleosome_md2_ntt0.out.dif
/home/jonathan/amber12/test/cuda/nucleosome
261c261
< Etot = 3.4246 EKtot = 62.6287 EPtot =
65.3240
> Etot = 3.4252 EKtot = 62.6282 EPtot =
65.3240
### Maximum absolute error in matching lines = 6.00e-04 at line 261 field 3
### Maximum relative error in matching lines = 1.75e-04 at line 261 field 3
---------------------------------------
possible FAILURE: check jac.out.dif
/home/jonathan/amber12/test/cuda/jac
112c112
< Etot = 0.2318 EKtot = 47.0779 EPtot =
47.0435
> Etot = 0.2324 EKtot = 47.0785 EPtot =
47.0434
### Maximum absolute error in matching lines = 6.00e-04 at line 112 field 3
### Maximum relative error in matching lines = 2.59e-03 at line 112 field 3
---------------------------------------
possible FAILURE: check mdout.dhfr.dif
/home/jonathan/amber12/test/cuda/dhfr
206c206
< Etot = 0.1629 EKtot = 54.6594 EPtot =
54.6895
> Etot = 0.1628 EKtot = 54.6593 EPtot =
54.6895
### Maximum absolute error in matching lines = 1.00e-04 at line 206 field 3
### Maximum relative error in matching lines = 6.14e-04 at line 206 field 3
---------------------------------------
possible FAILURE: check mdout.dhfr.ntr1.dif
/home/jonathan/amber12/test/cuda/dhfr
267c267
< Etot = 0.2226 EKtot = 63.7687 EPtot =
63.8464
> Etot = 0.2224 EKtot = 63.7686 EPtot =
63.8464
### Maximum absolute error in matching lines = 2.00e-04 at line 267 field 3
### Maximum relative error in matching lines = 8.99e-04 at line 267 field 3
---------------------------------------
possible FAILURE: check mdout.ips.amd1.dif
/home/jonathan/amber12/test/cuda/amd/gact_ips
252c252
< Etot = 0.2870 EKtot = 113.9213 EPtot =
113.9790
> Etot = 0.2868 EKtot = 113.9212 EPtot =
113.9790
256c256
< EKCMT = 31.7648 VIRIAL = 314.2456 VOLUME =
0.2383
> EKCMT = 31.7648 VIRIAL = 314.2456 VOLUME =
0.2384
### Maximum absolute error in matching lines = 2.00e-04 at line 252 field 3
### Maximum relative error in matching lines = 6.97e-04 at line 252 field 3
logs/test_amber_cuda_parallel/2012-09-07_12-50-05.diff
possible FAILURE: check nucleosome_md2_ntt0.out.dif
/home/jonathan/amber12/test/cuda/nucleosome
261c261
< Etot = 3.4246 EKtot = 62.6287 EPtot =
65.3240
> Etot = 3.4252 EKtot = 62.6282 EPtot =
65.3240
### Maximum absolute error in matching lines = 6.00e-04 at line 261 field 3
### Maximum relative error in matching lines = 1.75e-04 at line 261 field 3
---------------------------------------
possible FAILURE: check jac.out.dif
/home/jonathan/amber12/test/cuda/jac
112c112
< Etot = 0.2318 EKtot = 47.0779 EPtot =
47.0435
> Etot = 0.2328 EKtot = 47.0780 EPtot =
47.0434
### Maximum absolute error in matching lines = 1.00e-03 at line 112 field 3
### Maximum relative error in matching lines = 4.31e-03 at line 112 field 3
---------------------------------------
possible FAILURE: check mdout.dhfr.ntr1.dif
/home/jonathan/amber12/test/cuda/dhfr
267c267
< Etot = 0.2226 EKtot = 63.7687 EPtot =
63.8464
> Etot = 0.2224 EKtot = 63.7689 EPtot =
63.8464
### Maximum absolute error in matching lines = 2.00e-04 at line 267 field 3
### Maximum relative error in matching lines = 8.99e-04 at line 267 field 3
---------------------------------------
possible FAILURE: check mdout.ips.amd1.dif
/home/jonathan/amber12/test/cuda/amd/gact_ips
252c252
< Etot = 0.2870 EKtot = 113.9213 EPtot =
113.9790
> Etot = 0.2868 EKtot = 113.9212 EPtot =
113.9790
### Maximum absolute error in matching lines = 2.00e-04 at line 252 field 3
### Maximum relative error in matching lines = 6.97e-04 at line 252 field 3
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Received on Fri Sep 07 2012 - 10:30:04 PDT
