Task 38635020
| Name | p38_3_A11_A33_r0_3-QUICO_ATM_OpenFF_NAGL_p38_3-0-6-RND7216_0 |
| Workunit | 31583496 |
| Created | 28 Apr 2026, 12:49:01 UTC |
| Sent | 28 Apr 2026, 13:01:07 UTC |
| Report deadline | 3 May 2026, 13:01:07 UTC |
| Received | 29 Apr 2026, 9:56:08 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 585486 |
| Run time | 2 hours 8 min |
| CPU time | 2 hours 3 min |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 21,380.77 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 635.73 MB |
| Peak swap size | 6.82 GB |
| Peak disk usage | 3.55 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
02:48:22 (28488): wrapper (7.9.26016): starting
02:48:22 (28488): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A33_0.pdb
QB_A11_A33_0.xml
QB_A11_A33.inpcrd
QB_A11_A33_input.yaml
QB_A11_A33.pdb
QB_A11_A33.prmtop
QB_A11_A33_sys.xml
run.bat
run.sh
02:48:24 (28488): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:48:24 (28488): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\12\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\12\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "C:\ProgramData\BOINC\slots\12\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\12\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
04:54:03 (28488): C:/Windows/system32/cmd.exe exited; CPU time 7380.328125
04:54:03 (28488): app exit status: 0x16
04:54:03 (28488): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 148845049 bytes.
Dumping objects ->
{3835263} normal block at 0x000001AA7C7ED6D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835252} normal block at 0x000001AA7ABD5330, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835241} normal block at 0x000001AA7ABD5090, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835230} normal block at 0x000001AA7ABD52C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x000001AA7ABD5250, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835188} normal block at 0x000001AA7C83A280, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835175} normal block at 0x000001AA7ABCDCC0, 8 bytes long.
Data: < q|ª > 00 00 71 7C AA 01 00 00
{3833961} normal block at 0x000001AA7ABCDB30, 8 bytes long.
Data: <PÚ»zª > 50 DA BB 7A AA 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001AA7ABC0F80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001AA7ABC2710, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001AA7ABD6A60, 16 bytes long.
Data: < o½zª > 88 6F BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001AA7ABD61F0, 16 bytes long.
Data: <`o½zª > 60 6F BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001AA7ABD06E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001AA7ABD5E30, 16 bytes long.
Data: <8o½zª > 38 6F BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AA7ABD6740, 16 bytes long.
Data: < o½zª > 10 6F BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AA7ABD6150, 16 bytes long.
Data: <èn½zª > E8 6E BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AA7ABD66A0, 16 bytes long.
Data: <Àn½zª > C0 6E BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AA7ABD5640, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001AA7ABD5F20, 16 bytes long.
Data: <¨õ»zª > A8 F5 BB 7A AA 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AA7ABD0560, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001AA7ABD6A10, 16 bytes long.
Data: < õ»zª > 80 F5 BB 7A AA 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AA7ABD69C0, 16 bytes long.
Data: <Xõ»zª > 58 F5 BB 7A AA 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AA7ABD6970, 16 bytes long.
Data: <0õ»zª > 30 F5 BB 7A AA 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AA7ABD6060, 16 bytes long.
Data: < õ»zª > 08 F5 BB 7A AA 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AA7ABD6650, 16 bytes long.
Data: <àô»zª > E0 F4 BB 7A AA 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AA7ABD6920, 16 bytes long.
Data: <¸ô»zª > B8 F4 BB 7A AA 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001AA7ABD0080, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001AA7ABD66F0, 16 bytes long.
Data: < ô»zª > 90 F4 BB 7A AA 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AA7ABBF490, 320 bytes long.
Data: <ðf½zª ½zª > F0 66 BD 7A AA 01 00 00 80 00 BD 7A AA 01 00 00
{276} normal block at 0x000001AA7ABD6BA0, 16 bytes long.
Data: < n½zª > A0 6E BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AA7ABD6560, 16 bytes long.
Data: <xn½zª > 78 6E BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AA7ABCFF60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001AA7ABD6B00, 16 bytes long.
Data: <Pn½zª > 50 6E BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AA7ABCFA80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001AA7ABD6510, 16 bytes long.
Data: < m½zª > 98 6D BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AA7ABD6100, 16 bytes long.
Data: <pm½zª > 70 6D BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AA7ABD6010, 16 bytes long.
Data: <Hm½zª > 48 6D BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AA7ABD64C0, 16 bytes long.
Data: < m½zª > 20 6D BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AA7ABD5F70, 16 bytes long.
Data: <øl½zª > F8 6C BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AA7ABD6600, 16 bytes long.
Data: <Ðl½zª > D0 6C BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AA7ABD61A0, 16 bytes long.
Data: < T½zª > 10 54 BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AA7ABD5410, 40 bytes long.
Data: < a½zª ¢ƒ|ª > A0 61 BD 7A AA 01 00 00 80 A2 83 7C AA 01 00 00
{262} normal block at 0x000001AA7ABD6420, 16 bytes long.
Data: <°l½zª > B0 6C BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AA7ABD6B50, 16 bytes long.
Data: < l½zª > 88 6C BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001AA7ABCFA20, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001AA7ABD65B0, 16 bytes long.
Data: <`l½zª > 60 6C BD 7A AA 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001AA7ABD6C60, 992 bytes long.
Data: <°e½zª ú¼zª > B0 65 BD 7A AA 01 00 00 20 FA BC 7A AA 01 00 00
{94} normal block at 0x000001AA7ABD02C0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001AA7ABCE210, 16 bytes long.
Data: <ðûzª > F0 C3 BB 7A AA 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001AA7ABBC3F0, 40 bytes long.
Data: < â¼zª À ½zª > 10 E2 BC 7A AA 01 00 00 C0 02 BD 7A AA 01 00 00
{71} normal block at 0x000001AA7ABCD900, 16 bytes long.
Data: < êlûö > 80 EA 6C FB F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001AA7ABCD860, 16 bytes long.
Data: <@élûö > 40 E9 6C FB F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001AA7ABCDF90, 16 bytes long.
Data: <øWiûö > F8 57 69 FB F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001AA7ABCE260, 16 bytes long.
Data: <ØWiûö > D8 57 69 FB F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001AA7ABCE1C0, 16 bytes long.
Data: <P iûö > 50 04 69 FB F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001AA7ABCD9F0, 16 bytes long.
Data: <0 iûö > 30 04 69 FB F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AA7ABCE170, 16 bytes long.
Data: <à iûö > E0 02 69 FB F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AA7ABCD630, 16 bytes long.
Data: < iûö > 10 04 69 FB F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AA7ABCD810, 16 bytes long.
Data: <p iûö > 70 04 69 FB F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AA7ABCDEA0, 16 bytes long.
Data: < Àgûö > 18 C0 67 FB F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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