Task 38624936
| Name | CDK2_A15_A01_r0_2-QUICO_ATM_GAFF2_NAGL_CDK2-4-6-RND7027_1 |
| Workunit | 31569524 |
| Created | 23 Apr 2026, 8:47:59 UTC |
| Sent | 23 Apr 2026, 8:48:01 UTC |
| Report deadline | 28 Apr 2026, 8:48:01 UTC |
| Received | 23 Apr 2026, 9:10:03 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 638259 |
| Run time | 20 min 12 sec |
| CPU time | 15 min 47 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,070.60 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 712.90 MB |
| Peak swap size | 3.91 GB |
| Peak disk usage | 3.72 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>
03:50:08 (2816): wrapper (7.9.26016): starting
03:50:08 (2816): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A01_0.pdb
QB_A15_A01_0.xml
QB_A15_A01.inpcrd
QB_A15_A01_input.yaml
QB_A15_A01.pdb
QB_A15_A01.prmtop
QB_A15_A01_sys.xml
run.bat
run.sh
03:50:12 (2816): Library/usr/bin/tar.exe exited; CPU time 0.109375
03:50:12 (2816): 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\9\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\9\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\9\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\9\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\9\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\9\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\9\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: bad allocation
04:08:40 (2816): C:/Windows/system32/cmd.exe exited; CPU time 947.828125
04:08:40 (2816): app exit status: 0x16
04:08:40 (2816): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 17341785 bytes.
Dumping objects ->
{3835273} normal block at 0x000002896BC4CCE0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835262} normal block at 0x000002896BC4CD50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x0000028969FB4A30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835240} normal block at 0x0000028969FB48E0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x0000028969FB4800, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835198} normal block at 0x000002896BC988A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x000002896BCAE310, 102 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) : {3835184} normal block at 0x0000028969FAD610, 8 bytes long.
Data: < Bj‰ > 00 00 42 6A 89 02 00 00
{3834563} normal block at 0x000002896BCAEC00, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833955} normal block at 0x0000028969FADB60, 8 bytes long.
Data: < Öùi‰ > 90 D6 F9 69 89 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000028969FA0D00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000028969FA19C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000028969FB5450, 16 bytes long.
Data: <¨eûi‰ > A8 65 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000028969FB5A90, 16 bytes long.
Data: < eûi‰ > 80 65 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000028969FB1270, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000028969FB60D0, 16 bytes long.
Data: <Xeûi‰ > 58 65 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000028969FB6080, 16 bytes long.
Data: <0eûi‰ > 30 65 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000028969FB6030, 16 bytes long.
Data: < eûi‰ > 08 65 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000028969FB58B0, 16 bytes long.
Data: <àdûi‰ > E0 64 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000028969FB4790, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000028969FB5FE0, 16 bytes long.
Data: <È úi‰ > C8 06 FA 69 89 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000028969FB1510, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000028969FB5EA0, 16 bytes long.
Data: <  úi‰ > A0 06 FA 69 89 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000028969FB52C0, 16 bytes long.
Data: <x úi‰ > 78 06 FA 69 89 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000028969FB5630, 16 bytes long.
Data: <P úi‰ > 50 06 FA 69 89 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000028969FB5E50, 16 bytes long.
Data: <( úi‰ > 28 06 FA 69 89 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000028969FB5F90, 16 bytes long.
Data: < úi‰ > 00 06 FA 69 89 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000028969FB5EF0, 16 bytes long.
Data: <Ø úi‰ > D8 05 FA 69 89 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000028969FB1090, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000028969FB54F0, 16 bytes long.
Data: <° úi‰ > B0 05 FA 69 89 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000028969FA05B0, 320 bytes long.
Data: <ðTûi‰ ûi‰ > F0 54 FB 69 89 02 00 00 90 10 FB 69 89 02 00 00
{273} normal block at 0x0000028969FB61C0, 16 bytes long.
Data: <Àdûi‰ > C0 64 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000028969FB5E00, 16 bytes long.
Data: < dûi‰ > 98 64 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000028969FB08B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000028969FB5DB0, 16 bytes long.
Data: <pdûi‰ > 70 64 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000028969FB1630, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000028969FB5D60, 16 bytes long.
Data: <¸cûi‰ > B8 63 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000028969FB5C20, 16 bytes long.
Data: < cûi‰ > 90 63 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000028969FB5400, 16 bytes long.
Data: <hcûi‰ > 68 63 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000028969FB5950, 16 bytes long.
Data: <@cûi‰ > 40 63 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000028969FB5770, 16 bytes long.
Data: < cûi‰ > 18 63 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000028969FB5D10, 16 bytes long.
Data: <ðbûi‰ > F0 62 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000028969FB5C70, 16 bytes long.
Data: <`Lûi‰ > 60 4C FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000028969FB4C60, 40 bytes long.
Data: <p\ûi‰   Ék‰ > 70 5C FB 69 89 02 00 00 A0 88 C9 6B 89 02 00 00
{259} normal block at 0x0000028969FB5900, 16 bytes long.
Data: <Ðbûi‰ > D0 62 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000028969FB5590, 16 bytes long.
Data: <¨bûi‰ > A8 62 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000028969FB0FD0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000028969FB55E0, 16 bytes long.
Data: < bûi‰ > 80 62 FB 69 89 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000028969FB6280, 992 bytes long.
Data: <àUûi‰ Ð ûi‰ > E0 55 FB 69 89 02 00 00 D0 0F FB 69 89 02 00 00
{91} normal block at 0x0000028969FB09D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000028969FAD070, 16 bytes long.
Data: <ðÑùi‰ > F0 D1 F9 69 89 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000028969F9D1F0, 40 bytes long.
Data: <pÐúi‰ Ð ûi‰ > 70 D0 FA 69 89 02 00 00 D0 09 FB 69 89 02 00 00
{68} normal block at 0x0000028969FADB10, 16 bytes long.
Data: < ê-ö÷ > 80 EA 2D F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000028969FADAC0, 16 bytes long.
Data: <@é-ö÷ > 40 E9 2D F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000028969FADA70, 16 bytes long.
Data: <øW*ö÷ > F8 57 2A F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000028969FAD110, 16 bytes long.
Data: <ØW*ö÷ > D8 57 2A F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000028969FADC00, 16 bytes long.
Data: <P *ö÷ > 50 04 2A F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000028969FAD840, 16 bytes long.
Data: <0 *ö÷ > 30 04 2A F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000028969FAD570, 16 bytes long.
Data: <à *ö÷ > E0 02 2A F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000028969FAD520, 16 bytes long.
Data: < *ö÷ > 10 04 2A F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000028969FAD750, 16 bytes long.
Data: <p *ö÷ > 70 04 2A F6 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000028969FAD5C0, 16 bytes long.
Data: < À(ö÷ > 18 C0 28 F6 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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