ABINIT Discussion Forums

Hello,
I am trying to determine the band structure of a 2*2*2 KNbO3 supercell with 1 Fe impurity (replacing a Nb) and a Oxygen vaccancy. The job runs on 8 processors and crashes after a few seconds with the following error message. I was hoping if somebody could help me with this please.I have included the input and the log files .
Thanks for your time
Mohua

pspatm: atomic psp has been read and splines computed

9.04871832E+05 ecore*ucvol(ha*bohr**3)
[bluntman:94640] *** Process received signal ***
[bluntman:94640] Signal: Bus error (10)
[bluntman:94640] Signal code: (2)
[bluntman:94640] Failing at address: 0x3700000
[bluntman:94636] *** Process received signal ***
[bluntman:94636] Signal: Bus error (10)
[bluntman:94636] Signal code: (2)
[bluntman:94636] Failing at address: 0x3700000
[bluntman:94636] *** Process received signal ***
[bluntman:94636] Signal: Segmentation fault (11)
[bluntman:94636] Signal code: Address not mapped (1)
[bluntman:94636] Failing at address: 0xc02c0000
[bluntman:94638] *** Process received signal ***
[bluntman:94638] Signal: Bus error (10)
[bluntman:94638] Signal code: (2)
[bluntman:94638] Failing at address: 0x3700000
abinit(94638) malloc: *** error for object 0x3630004: incorrect checksum for freed object - object was probably modified after being freed.
*** set a breakpoint in malloc_error_break to debug
[bluntman:94640] [ 0] 2 libSystem.B.dylib 0x9537d42b _sigtramp + 43
[bluntman:94640] [ 1] 3 ??? 0xffffffff 0x0 + 4294967295
[bluntman:94640] [ 2] 4 abinit 0x0040b4f7 newkpt_ + 1879
[bluntman:94640] [ 3] 5 abinit 0x000f81bf inwffil_ + 1807
[bluntman:94640] [ 4] 6 abinit 0x00033bac gstate_ + 5964
[bluntman:94640] [ 5] 7 abinit 0x0003fdf1 gstateimg_ + 5441
[bluntman:94640] [ 6] 8 abinit 0x00024fdc driver_ + 27964
[bluntman:94640] [ 7] 9 abinit 0x000040d1 MAIN__ + 8849
[bluntman:94640] [ 8] 10 abinit 0x00a18438 main + 40
[bluntman:94640] [ 9] 11 abinit 0x00001df5 start + 53
[bluntman:94640] *** End of error message ***
[bluntman:94638] [ 0] 2 libSystem.B.dylib 0x9537d42b _sigtramp + 43
[bluntman:94638] [ 1] 3 ??? 0xffffffff 0x0 + 4294967295
[bluntman:94638] [ 2] 4 abinit 0x0040b4f7 newkpt_ + 1879
[bluntman:94638] [ 3] 5 abinit 0x000f81bf inwffil_ + 1807
[bluntman:94638] [ 4] 6 abinit 0x00033bac gstate_ + 5964
[bluntman:94638] [ 5] 7 abinit 0x0003fdf1 gstateimg_ + 5441
[bluntman:94638] [ 6] 8 abinit 0x00024fdc driver_ + 27964
[bluntman:94638] [ 7] 9 abinit 0x000040d1 MAIN__ + 8849
[bluntman:94638] [ 8] 10 abinit 0x00a18438 main + 40
[bluntman:94638] [ 9] 11 abinit 0x00001df5 start + 53
[bluntman:94638] *** End of error message ***
[bluntman:94637] *** Process received signal ***
[bluntman:94637] Signal: Bus error (10)
[bluntman:94637] Signal code: (2)
[bluntman:94637] Failing at address: 0x3700000
[bluntman:94639] *** Process received signal ***
[bluntman:94639] Signal: Bus error (10)
[bluntman:94639] Signal code: (2)
[bluntman:94639] Failing at address: 0x3700000
[bluntman:94635] *** Process received signal ***
[bluntman:94635] Signal: Bus error (10)
[bluntman:94635] Signal code: (2)
[bluntman:94635] Failing at address: 0x3700000
abinit(94635) malloc: *** error for object 0x362fef4: incorrect checksum for freed object - object was probably modified after being freed.
*** set a breakpoint in malloc_error_break to debug
abinit(94637) malloc: *** error for object 0x3630004: incorrect checksum for freed object - object was probably modified after being freed.
*** set a breakpoint in malloc_error_break to debug
[bluntman:94639] [ 0] 2 libSystem.B.dylib 0x9537d42b _sigtramp + 43
[bluntman:94639] [ 1] 3 ??? 0xffffffff 0x0 + 4294967295
[bluntman:94639] [ 2] 4 abinit 0x0040b4f7 newkpt_ + 1879
[bluntman:94639] [ 3] 5 abinit 0x000f81bf inwffil_ + 1807
[bluntman:94639] [ 4] 6 abinit 0x00033bac gstate_ + 5964
[bluntman:94639] [ 5] 7 abinit 0x0003fdf1 gstateimg_ + 5441
[bluntman:94639] [ 6] 8 abinit 0x00024fdc driver_ + 27964
[bluntman:94639] [ 7] 9 abinit 0x000040d1 MAIN__ + 8849
[bluntman:94639] [ 8] 10 abinit 0x00a18438 main + 40
[bluntman:94639] [ 9] 11 abinit 0x00001df5 start + 53
[bluntman:94639] *** End of error message ***
[bluntman:94637] [ 0] 2 libSystem.B.dylib 0x9537d42b _sigtramp + 43
[bluntman:94637] [ 1] 3 ??? 0xffffffff 0x0 + 4294967295
[bluntman:94637] [ 2] 4 abinit 0x0040b4f7 newkpt_ + 1879
[bluntman:94637] [ 3] 5 abinit 0x000f81bf inwffil_ + 1807
[bluntman:94637] [ 4] 6 abinit 0x00033bac gstate_ + 5964
[bluntman:94637] [ 5] 7 abinit 0x0003fdf1 gstateimg_ + 5441
[bluntman:94637] [ 6] 8 abinit 0x00024fdc driver_ + 27964
[bluntman:94637] [ 7] 9 abinit 0x000040d1 MAIN__ + 8849
[bluntman:94637] [ 8] 10 abinit 0x00a18438 main + 40
[bluntman:94637] [ 9] 11 abinit 0x00001df5 start + 53
[bluntman:94637] *** End of error message ***
abinit(94635) malloc: *** error for object 0x362fb24: incorrect checksum for freed object - object was probably modified after being freed.
*** set a breakpoint in malloc_error_break to debug
abinit(94635) malloc: *** error for object 0x362fb20: incorrect checksum for freed object - object was probably modified after being freed.
*** set a breakpoint in malloc_error_break to debug
[bluntman:94635] [ 0] 2 libSystem.B.dylib 0x9537d42b _sigtramp + 43
[bluntman:94635] [ 1] 3 ??? 0xffffffff 0x0 + 4294967295
[bluntman:94635] [ 2] 4 abinit 0x0040b4f7 newkpt_ + 1879
[bluntman:94635] [ 3] 5 abinit 0x000f81bf inwffil_ + 1807
[bluntman:94635] [ 4] 6 abinit 0x00033bac gstate_ + 5964
[bluntman:94635] [ 5] 7 abinit 0x0003fdf1 gstateimg_ + 5441
[bluntman:94635] [ 6] 8 abinit 0x00024fdc driver_ + 27964
[bluntman:94635] [ 7] 9 abinit 0x000040d1 MAIN__ + 8849
[bluntman:94635] [ 8] 10 abinit 0x00a18438 main + 40
[bluntman:94635] [ 9] 11 abinit 0x00001df5 start + 53
[bluntman:94635] *** End of error message ***
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mpirun noticed that process rank 2 with PID 94635 on node bluntman.physast.uga.edu exited on signal 10 (Bus error).
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