Task 38680617
| Name | test_427-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND3387_1 |
| Workunit | 31622272 |
| Created | 27 Oct 2026, 0:38:47 UTC |
| Sent | 27 Oct 2026, 0:39:03 UTC |
| Report deadline | 1 Nov 2026, 0:39:03 UTC |
| Received | 27 Oct 2026, 2:45:47 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 628418 |
| Run time | 34 min 8 sec |
| CPU time | 34 min 8 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 700.70 MB |
| Peak swap size | 9.87 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
02:11:28 (25844): wrapper (7.9.26016): starting
02:11:28 (25844): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
02:11:29 (25844): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:11:29 (25844): 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 'D:\BOINC_DATA\slots\0\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 'D:\BOINC_DATA\slots\0\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 "D:\BOINC_DATA\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "D:\BOINC_DATA\slots\0\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
02:44:22 (25844): C:/Windows/system32/cmd.exe exited; CPU time 2048.718750
02:44:22 (25844): app exit status: 0x16
02:44:22 (25844): called boinc_finish(195)
0 bytes in 0 Free Blocks.
536 bytes in 8 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: 33542937 bytes.
Dumping objects ->
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Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835237} normal block at 0x00000210FA305500, 32 bytes long.
Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835226} normal block at 0x00000210FA3050E0, 32 bytes long.
Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835215} normal block at 0x00000210FA305320, 32 bytes long.
Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835204} normal block at 0x00000210FA305080, 32 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{3835173} normal block at 0x00000210FA1C0D80, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835162} normal block at 0x00000210FA358FF0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835159} normal block at 0x00000210F84F7550, 8 bytes long.
Data: < ôù > 00 00 F4 F9 10 02 00 00
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{3833965} normal block at 0x00000210F84F6C90, 8 bytes long.
Data: < 1ú > 20 19 31 FA 10 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000210F8501DF0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000210F84EB4C0, 80 bytes long.
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Data: <@APø > 40 41 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000210F84FC310, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x00000210F85033D0, 16 bytes long.
Data: < APø > 18 41 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000210F8503380, 16 bytes long.
Data: <ð@Pø > F0 40 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000210F8503330, 16 bytes long.
Data: <È@Pø > C8 40 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000210F8503B00, 16 bytes long.
Data: < @Pø > A0 40 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000210F84FD8D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x00000210F8503240, 16 bytes long.
Data: < aNø > 88 61 4E F8 10 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000210F84FC070, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x00000210F85032E0, 16 bytes long.
Data: <`aNø > 60 61 4E F8 10 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000210F8503560, 16 bytes long.
Data: <8aNø > 38 61 4E F8 10 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000210F85037E0, 16 bytes long.
Data: < aNø > 10 61 4E F8 10 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000210F85031F0, 16 bytes long.
Data: <è`Nø > E8 60 4E F8 10 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000210F8503150, 16 bytes long.
Data: <À`Nø > C0 60 4E F8 10 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000210F8503290, 16 bytes long.
Data: < `Nø > 98 60 4E F8 10 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000210F84FC670, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x00000210F8503060, 16 bytes long.
Data: <p`Nø > 70 60 4E F8 10 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000210F84E6070, 320 bytes long.
Data: <`0Pø pÆOø > 60 30 50 F8 10 02 00 00 70 C6 4F F8 10 02 00 00
{278} normal block at 0x00000210F8502ED0, 16 bytes long.
Data: < @Pø > 80 40 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000210F8503C40, 16 bytes long.
Data: <X@Pø > 58 40 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000210F84FBD10, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x00000210F8503010, 16 bytes long.
Data: <0@Pø > 30 40 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000210F84FC1F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x00000210F8503AB0, 16 bytes long.
Data: <x?Pø > 78 3F 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000210F85031A0, 16 bytes long.
Data: <P?Pø > 50 3F 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000210F85039C0, 16 bytes long.
Data: <(?Pø > 28 3F 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000210F8503880, 16 bytes long.
Data: < ?Pø > 00 3F 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000210F85036F0, 16 bytes long.
Data: <Ø>Pø > D8 3E 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000210F8503BF0, 16 bytes long.
Data: <°>Pø > B0 3E 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000210F8503BA0, 16 bytes long.
Data: < ×Oø > 80 D7 4F F8 10 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000210F84FD780, 40 bytes long.
Data: < ;Pø ú > A0 3B 50 F8 10 02 00 00 80 0D 1C FA 10 02 00 00
{264} normal block at 0x00000210F8503970, 16 bytes long.
Data: < >Pø > 90 3E 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000210F85030B0, 16 bytes long.
Data: <h>Pø > 68 3E 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000210F84FC130, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x00000210F8502FC0, 16 bytes long.
Data: <@>Pø > 40 3E 50 F8 10 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000210F8503E40, 992 bytes long.
Data: <À/Pø 0ÁOø > C0 2F 50 F8 10 02 00 00 30 C1 4F F8 10 02 00 00
{96} normal block at 0x00000210F84FB7D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x00000210F84F6F10, 16 bytes long.
Data: < ×Oø > 10 D7 4F F8 10 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x00000210F84FD710, 40 bytes long.
Data: < oOø зOø > 10 6F 4F F8 10 02 00 00 D0 B7 4F F8 10 02 00 00
{73} normal block at 0x00000210F84F73C0, 16 bytes long.
Data: < êÏU÷ > 80 EA CF 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000210F84F72D0, 16 bytes long.
Data: <@éÏU÷ > 40 E9 CF 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000210F84F7190, 16 bytes long.
Data: <øWÌU÷ > F8 57 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000210F84F6E70, 16 bytes long.
Data: <ØWÌU÷ > D8 57 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000210F84F6DD0, 16 bytes long.
Data: <P ÌU÷ > 50 04 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000210F84F6CE0, 16 bytes long.
Data: <0 ÌU÷ > 30 04 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000210F84F6D80, 16 bytes long.
Data: <à ÌU÷ > E0 02 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000210F84F6B00, 16 bytes long.
Data: < ÌU÷ > 10 04 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000210F84F7910, 16 bytes long.
Data: <p ÌU÷ > 70 04 CC 55 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000210F84F7140, 16 bytes long.
Data: < ÀÊU÷ > 18 C0 CA 55 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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