psolver make check fail
Affects | Status | Importance | Assigned to | Milestone | |
---|---|---|---|---|---|
BigDFT |
Fix Released
|
Undecided
|
Unassigned |
Bug Description
When I build psolver with gfortran 6.4 , mpich 3.2.1 and threaded intel mkl
with FCFLAGS="-O2 -Wno-error -fbounds-check -fbacktrace -ffpe-trap=
make check
make PS_Check PS_Program PS_Exercise Generalized_PSolver Fock PS_StressCheck PSolver_examples
make[1]: Entering directory '/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
mpif90 -I. -I../src -I../src -I/home/
make[1]: Leaving directory '/home/
python /home/list1331/
--exclusive=
Parsing arguments with method argparse...
{'tols': './tols.yaml', 'srcdir': '.', 'fldiff': '/home/
executing: mpirun -np 2 ./PS_Program -n [64,64,64] -g P > PS_Basics.out.yaml
executing: mpirun -np 2 ./PS_Program -n [32,64,48] -g S >> PS_Basics.out.yaml
executing: mpirun -np 2 ./PS_Program -n [32,64,48] -g S -d [90,89,90] >> PS_Basics.out.yaml
executing: mpirun -np 2 ./PS_Program -n [32,64,48] -g S -d [90,60,90] >> PS_Basics.out.yaml
Label "PS_Basics": No new patterns to ignore
---
Maximum discrepancy: 4.2632564145606
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 1.8
Test succeeded: True
Remarks (PS_Basics): !!map
Report: {Document: 0, Elapsed Time (s): 1.796454057, Failed_checks: 0, Max_Diff: 4.2632564145606
Memory_leaks (B): 0, Missed_items: 0}
---
Maximum discrepancy: 9.0949470177292
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 0.17
Test succeeded: True
Remarks (PS_Basics): !!map
Report: {Document: 1, Elapsed Time (s): 0.165766282, Failed_checks: 0, Max_Diff: 9.0949470177292
Memory_leaks (B): 0, Missed_items: 0}
---
All tolerances: !!map
Expected Eh: 2.3e-10
Memory Consumption Report:
Memory occupation:
Memory Peak of process: null
Poisson Kernel Initialization:
environment:
minres: 1.0e-06
Report on comparison:
Ehartree: 2.0e-10
Ehartree diff: 2.0e-10
Max diff: 6.65e-14
dipole:
- 0.0013688509999
monopole: 1e-8
potential integral: 8.0e-11
Failure reason: Difference
Maximum discrepancy: 0.0013688509999
Maximum tolerance applied: 7.76e-09
Platform: unknown
Seconds needed for the test: 0.28
Test succeeded: False
Remarks (PS_Basics): !!map
FAILURE:
dipole:
Path:
- - dipole
- [0]
bigtol: 7.76e-09
diff: 0.0013688509999
ref: -0.078433387
tols: 7.76e-09
val: -0.077064536
Report: {Document: 2, Elapsed Time (s): 0.284956865, Failed_checks: 1, Max_Diff: 0.0013688509999
Memory_leaks (B): 0, Missed_items: 0}
---
Suggestion for tolerances (WARNING! Beware of too high values): !!map
PS_Basics:
dipole: 0.0013688509999
---
All tolerances: !!map
Expected Eh: 2.3e-10
Memory Consumption Report:
Memory occupation:
Memory Peak of process: null
Poisson Kernel Initialization:
environment:
minres: 1.0e-06
Report on comparison:
Ehartree: 2.0e-10
Ehartree diff: 2.0e-10
Max diff: 6.65e-14
dipole:
- 0.09812079999999979
monopole: 1e-8
potential integral: 8.0e-11
Failure reason: Difference
Maximum discrepancy: 0.09812079999999979
Maximum tolerance applied: 7.76e-09
Platform: unknown
Seconds needed for the test: 0.31
Test succeeded: False
Remarks (PS_Basics): !!map
FAILURE:
dipole:
Path:
- - dipole
- [0]
bigtol: 7.76e-09
diff: 0.09812079999999979
ref: -2.352393
tols: 7.76e-09
val: -2.4505138
Report: {Document: 3, Elapsed Time (s): 0.307234505, Failed_checks: 1, Max_Diff: 0.0981207999999
Memory_leaks (B): 0, Missed_items: 0}
---
Suggestion for tolerances (WARNING! Beware of too high values): !!map
PS_Basics:
dipole: 0.09812079999999979
---
Document number: 4
Failure reason: Difference
Maximum discrepancy: 0.09812079999999979
Maximum tolerance applied: 7.76e-09
Platform: unknown
Seconds needed for the test: 2.55
Test succeeded: False
executing: mpirun -np 2 ./PS_Check -n [57,48,63] -g F > PS_Check.out.yaml
executing: mpirun -np 2 ./PS_Check -n [64,64,64] -g P >> PS_Check.out.yaml
executing: mpirun -np 2 ./PS_Check -n [32,64,48] -g S >> PS_Check.out.yaml
executing: mpirun -np 2 ./PS_Check -n [51,55,64] -g W >> PS_Check.out.yaml
Label "PS_Check": No new keys to ignore
Label "PS_Check": No new patterns to ignore
---
Maximum discrepancy: 9.9975583367495
Maximum tolerance applied: 5.0e-16
Platform: list1331-
Seconds needed for the test: 0.67
Test succeeded: True
Remarks (PS_Check): !!map
Report: {Document: 0, Elapsed Time (s): 0.670665148, Failed_checks: 0, Max_Diff: 9.9975583367495
Memory_leaks (B): 0, Missed_items: 0}
---
Maximum discrepancy: 2.837623469532e-10
Maximum tolerance applied: 5.0e-16
Platform: list1331-
Seconds needed for the test: 0.39
Test succeeded: True
Remarks (PS_Check): !!map
Report: {Document: 1, Elapsed Time (s): 0.386958958, Failed_checks: 0, Max_Diff: 2.837623469532e-10,
Memory_leaks (B): 0, Missed_items: 0}
---
Maximum discrepancy: 3.730349362741e-13
Maximum tolerance applied: 5.0e-16
Platform: list1331-
Seconds needed for the test: 0.27
Test succeeded: True
Remarks (PS_Check): !!map
Report: {Document: 2, Elapsed Time (s): 0.271770974, Failed_checks: 0, Max_Diff: 3.730349362741e-13,
Memory_leaks (B): 0, Missed_items: 0}
---
Maximum discrepancy: 0.0
Maximum tolerance applied: 5.0e-16
Platform: list1331-
Seconds needed for the test: 7.09
Test succeeded: True
Remarks (PS_Check): !!map
Report: {Document: 3, Elapsed Time (s): 7.088112052, Failed_checks: 0, Max_Diff: 0.0,
Memory_leaks (B): 0, Missed_items: 0}
---
Document number: 4
Maximum discrepancy: 2.837623469532e-10
Maximum tolerance applied: 5.0e-16
Platform: list1331-
Seconds needed for the test: 8.42
Test succeeded: True
executing: mpirun -np 2 ./Generalized_
executing: mpirun -np 2 ./Generalized_
executing: mpirun -np 2 ./Generalized_
executing: mpirun -np 2 ./Generalized_
Program received signal SIGFPE: Floating-point exception - erroneous arithmetic operation.
Backtrace for this error:
#0 0x7fbf123adea7 in ???
#1 0x7fbf123ad0dd in ???
#2 0x7fbf10f17f1f in ???
#3 0x7fbf12002ad0 in ???
#4 0x55df0197a53b in gauss_conv_scf_
at /home/list1331/
#5 0x55df0197acf0 in gauconv_ffts_
at /home/list1331/
#6 0x55df0198441e in wires_kernel_
at /home/list1331/
#7 0x55df0193bb96 in __poisson_
at /home/list1331/
#8 0x55df01917135 in gps_3d
at /home/list1331/
#9 0x55df018d5b38 in main
at /home/list1331/
executing: mpirun -np 2 ./Generalized_
In data file: did not find expected <document start>
in "<byte string>", line 615, column 1
---
Failure reason: Crash
Maximum discrepancy: 0.0
Maximum tolerance applied: -1.0
Platform: None
Seconds needed for the test: 0.0
Test succeeded: False
executing: mpirun -np 2 ./Generalized_
executing: mpirun -np 2 ./Generalized_
executing: mpirun -np 2 ./Generalized_
Label "GPS_PI": No new keys to ignore
Label "GPS_PI": No new patterns to ignore
---
Maximum discrepancy: 6.6791017161449
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 1.77
Test succeeded: True
Remarks (GPS_PI): !!map
Report: {Document: 0, Elapsed Time (s): 1.770186096, Failed_checks: 0, Max_Diff: 6.6791017161449
Memory_leaks (B): 0, Missed_items: 0}
---
Maximum discrepancy: 5.8975047068088
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 1.83
Test succeeded: True
Remarks (GPS_PI): !!map
Report: {Document: 1, Elapsed Time (s): 1.829192424, Failed_checks: 0, Max_Diff: 5.8975047068088
Memory_leaks (B): 0, Missed_items: 0}
---
Maximum discrepancy: 2.0372681319713
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 3.76
Test succeeded: True
Remarks (GPS_PI): !!map
Report: {Document: 2, Elapsed Time (s): 3.758408288, Failed_checks: 0, Max_Diff: 2.0372681319713
Memory_leaks (B): 0, Missed_items: 0}
---
Document number: 3
Maximum discrepancy: 2.0372681319713
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 7.36
Test succeeded: True
executing: mpirun -np 2 ./Generalized_
executing: mpirun -np 2 ./Generalized_
Label "GPS_mPB": No new keys to ignore
Label "GPS_mPB": No new patterns to ignore
---
Maximum discrepancy: 4.2782630771398
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 2.28
Test succeeded: True
Remarks (GPS_mPB): !!map
Report: {Document: 0, Elapsed Time (s): 2.284579794, Failed_checks: 0, Max_Diff: 4.2782630771398
Memory_leaks (B): 0, Missed_items: 0}
---
Maximum discrepancy: 0.0
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 3.01
Test succeeded: True
Remarks (GPS_mPB): !!map
Report: {Document: 1, Elapsed Time (s): 3.012835965, Failed_checks: 0, Max_Diff: 0.0,
Memory_leaks (B): 0, Missed_items: 0}
---
Document number: 2
Maximum discrepancy: 4.2782630771398
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 5.3
Test succeeded: True
executing: mpirun -np 2 ./PS_StressCheck -n 50 -g P -s 50 > PS_StressCheck.
executing: mpirun -np 2 ./PS_StressCheck -n 50 -g P -s 50 -v yes >> PS_StressCheck.
executing: mpirun -np 2 ./PS_StressCheck -n 50 -g P -s 50 -d [47,60,80] >> PS_StressCheck.
Label "PS_StressCheck": No new patterns to ignore
---
Maximum discrepancy: 5.0022208597511
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 4.56
Test succeeded: True
Remarks (PS_StressCheck): !!map
Report: {Document: 0, Elapsed Time (s): 4.564770593, Failed_checks: 0, Max_Diff: 5.0022208597511
Memory_leaks (B): 0, Missed_items: 0}
---
Maximum discrepancy: 2.0463630789890
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 1.6
Test succeeded: True
Remarks (PS_StressCheck): !!map
Report: {Document: 1, Elapsed Time (s): 1.595872602, Failed_checks: 0, Max_Diff: 2.0463630789890
Memory_leaks (B): 0, Missed_items: 0}
---
Maximum discrepancy: 3.8653524825349
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 4.61
Test succeeded: True
Remarks (PS_StressCheck): !!map
Report: {Document: 2, Elapsed Time (s): 4.612602371, Failed_checks: 0, Max_Diff: 3.8653524825349
Memory_leaks (B): 0, Missed_items: 0}
---
Document number: 3
Maximum discrepancy: 5.0022208597511
Maximum tolerance applied: 5.0e-16
Platform: unknown
Seconds needed for the test: 10.77
Test succeeded: True
Final report for writings in stdout ('passed' means all significant floats are correct):
Final report for yaml outputs: if succeeded max diff (significant epsilon)
. GPS_PCG Failed: 0.0e+00 > -1.0e+00 (Crash) 0.00s
. GPS_PI Succeeded: 2.0e-10 (5.0e-16) 7.36s
. GPS_mPB Succeeded: 4.3e-09 (5.0e-16) 5.30s
. PS_Basics Failed: 9.8e-02 > 7.8e-09 (Difference) 2.55s
. PS_Check Succeeded: 2.8e-10 (5.0e-16) 8.42s
. PS_StressCheck Succeeded: 5.0e-12 (5.0e-16) 10.77s
-------
Test set failed (2 failed, 4 succeeded), check the above report!
Makefile:700: recipe for target 'report' failed
make: *** [report] Error 1
Changed in bigdft: | |
status: | New → Fix Released |