Task 38582780
| Name | HIF2A_A32_A06_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-2-5-RND8936_0 |
| Workunit | 31547036 |
| Created | 13 Dec 2025, 11:44:14 UTC |
| Sent | 13 Dec 2025, 11:44:21 UTC |
| Report deadline | 18 Dec 2025, 11:44:21 UTC |
| Received | 13 Dec 2025, 18:52:44 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 640316 |
| Run time | 2 hours 17 min 7 sec |
| CPU time | 1 hours 59 min 54 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 12,850.76 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 444.30 MB |
| Peak swap size | 6.48 GB |
| Peak disk usage | 2.94 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:11:46 (25432): wrapper (7.9.26016): starting
12:11:46 (25432): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A32_A06_0.pdb
QB_A32_A06_0.xml
QB_A32_A06_equil.pdb
QB_A32_A06.inpcrd
QB_A32_A06_input.yaml
QB_A32_A06_mdlambda.pdb
QB_A32_A06_min.pdb
QB_A32_A06_npt.pdb
QB_A32_A06.pdb
QB_A32_A06.prmtop
QB_A32_A06_sys.xml
QB_A32_A06_therm.pdb
run.bat
run.sh
12:11:48 (25432): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:11:48 (25432): 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 'H:\Boinc\slots\6\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 'H:\Boinc\slots\6\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835204} normal block at 0x0000022E407969A0, 8 bytes long.
Data: < @. > 00 00 B9 40 2E 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833968} normal block at 0x0000022E430F5860, 1080 bytes long.
Data: < * > A4 2A 00 00 CD CD CD CD 8C 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000022E407920E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
13:16:43 (24040): wrapper (7.9.26016): starting
13:16:43 (24040): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file H:\Boinc\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849887} normal block at 0x0000025D45AB7030, 8 bytes long.
Data: < E] > 00 00 E9 45 5D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x0000025D48435860, 1080 bytes long.
Data: < | > F8 0C 00 00 CD CD CD CD 7C 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000025D45AB20E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:01:37 (20708): wrapper (7.9.26016): starting
15:01:37 (20708): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file H:\Boinc\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849887} normal block at 0x000001ADA2F16F40, 8 bytes long.
Data: < > 00 00 82 A3 AD 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x000001ADA57F5860, 1080 bytes long.
Data: < f > 10 66 00 00 CD CD CD CD E0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001ADA2F11E60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:36:29 (13776): wrapper (7.9.26016): starting
15:36:29 (13776): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file H:\Boinc\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849887} normal block at 0x0000018742FC69A0, 8 bytes long.
Data: < JC > 00 00 4A 43 87 01 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x0000018745815860, 1080 bytes long.
Data: <ld ( > 6C 64 00 00 CD CD CD CD 28 03 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000018742FC20E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
15:46:09 (19796): wrapper (7.9.26016): starting
15:46:09 (19796): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file H:\Boinc\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849887} normal block at 0x0000025FD7B46AE0, 8 bytes long.
Data: < _ > 00 00 FD D7 5F 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848651} normal block at 0x0000025FDA475860, 1080 bytes long.
Data: < ) > E0 29 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000025FD7B424A0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
18:50:28 (15816): wrapper (7.9.26016): starting
18:50:28 (15816): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file H:\Boinc\slots\6\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "H:\Boinc\slots\6\Lib\site-packages\atom_openmm\openmm_async_re.py", line 432, in __init__
replica = OMMReplicaATM(i, self.basename, self.service_worker, self.logger, self.keywords)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "H:\Boinc\slots\6\Lib\site-packages\atom_openmm\ommreplica.py", line 41, in __init__
self.load_checkpoint()
File "H:\Boinc\slots\6\Lib\site-packages\atom_openmm\ommreplica.py", line 79, in load_checkpoint
self.worker.simulation.loadState(ckptfile)
File "H:\Boinc\slots\6\Lib\site-packages\openmm\app\simulation.py", line 363, in loadState
self.context.setState(mm.XmlSerializer.deserialize(xml))
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "H:\Boinc\slots\6\Lib\site-packages\openmm\openmm.py", line 19618, in deserialize
raise ValueError("Invalid input string")
ValueError: Invalid input string
During handling of the above exception, another exception occurred:
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "H:\Boinc\slots\6\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "H:\Boinc\slots\6\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "H:\Boinc\slots\6\Lib\site-packages\atom_openmm\openmm_async_re.py", line 434, in __init__
self._exit("Error when creating replica.")
File "H:\Boinc\slots\6\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
self.checkpointJob()
File "H:\Boinc\slots\6\Lib\site-packages\atom_openmm\openmm_async_re.py", line 48, in checkpointJob
self.update_state_of_replica(repl)
File "H:\Boinc\slots\6\Lib\site-packages\atom_openmm\openmm_async_re.py", line 86, in update_state_of_replica
stateid = self.status[repl]['stateid_current']
^^^^^^^^^^^
File "H:\Boinc\slots\6\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
return object.__getattribute__(self,name)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'status'
18:50:39 (15816): C:/Windows/system32/cmd.exe exited; CPU time 6.921875
18:50:39 (15816): app exit status: 0x16
18:50:39 (15816): called boinc_finish(195)
0 bytes in 0 Free Blocks.
176 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: 290354 bytes.
Dumping objects ->
{3849975} normal block at 0x000001833EE96360, 48 bytes long.
Data: <PATH=H:\Boinc\sl> 50 41 54 48 3D 48 3A 5C 42 6F 69 6E 63 5C 73 6C
{3849964} normal block at 0x0000018341761960, 32 bytes long.
Data: <HOME=H:\Boinc\sl> 48 4F 4D 45 3D 48 3A 5C 42 6F 69 6E 63 5C 73 6C
{3849953} normal block at 0x0000018341761660, 32 bytes long.
Data: <TMP=H:\Boinc\slo> 54 4D 50 3D 48 3A 5C 42 6F 69 6E 63 5C 73 6C 6F
{3849942} normal block at 0x00000183417606A0, 32 bytes long.
Data: <TEMP=H:\Boinc\sl> 54 45 4D 50 3D 48 3A 5C 42 6F 69 6E 63 5C 73 6C
{3849931} normal block at 0x0000018341760760, 32 bytes long.
Data: <TMPDIR=H:\Boinc\> 54 4D 50 44 49 52 3D 48 3A 5C 42 6F 69 6E 63 5C
{3849900} normal block at 0x000001833EE962F0, 48 bytes long.
Data: <PATH=H:\Boinc\sl> 50 41 54 48 3D 48 3A 5C 42 6F 69 6E 63 5C 73 6C
..\api\boinc_api.cpp(309) : {3849887} normal block at 0x000001833EE86BD0, 8 bytes long.
Data: < $?ƒ > 00 00 24 3F 83 01 00 00
{3848652} normal block at 0x000001833EE86AE0, 8 bytes long.
Data: <`XwAƒ > 60 58 77 41 83 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001833EE825E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001833EE83540, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{300} normal block at 0x000001833EE96B80, 16 bytes long.
Data: <x}é>ƒ > 78 7D E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001833EE96D10, 16 bytes long.
Data: <P}é>ƒ > 50 7D E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001833EE90DF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{297} normal block at 0x000001833EE96A90, 16 bytes long.
Data: <(}é>ƒ > 28 7D E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001833EE97760, 16 bytes long.
Data: < }é>ƒ > 00 7D E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001833EE97710, 16 bytes long.
Data: <Ø|é>ƒ > D8 7C E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001833EE972B0, 16 bytes long.
Data: <°|é>ƒ > B0 7C E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001833EE967C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{292} normal block at 0x000001833EE975D0, 16 bytes long.
Data: <Xóç>ƒ > 58 F3 E7 3E 83 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001833EE90C70, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{290} normal block at 0x000001833EE96EF0, 16 bytes long.
Data: <0óç>ƒ > 30 F3 E7 3E 83 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001833EE979E0, 16 bytes long.
Data: < óç>ƒ > 08 F3 E7 3E 83 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001833EE97850, 16 bytes long.
Data: <àòç>ƒ > E0 F2 E7 3E 83 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001833EE96EA0, 16 bytes long.
Data: <¸òç>ƒ > B8 F2 E7 3E 83 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001833EE96B30, 16 bytes long.
Data: < òç>ƒ > 90 F2 E7 3E 83 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001833EE97210, 16 bytes long.
Data: <hòç>ƒ > 68 F2 E7 3E 83 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001833EE90D30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{282} normal block at 0x000001833EE97580, 16 bytes long.
Data: <@òç>ƒ > 40 F2 E7 3E 83 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001833EE7F240, 320 bytes long.
Data: < ué>ƒ 0 é>ƒ > 80 75 E9 3E 83 01 00 00 30 0D E9 3E 83 01 00 00
{280} normal block at 0x000001833EE973A0, 16 bytes long.
Data: < |é>ƒ > 90 7C E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001833EE96FE0, 16 bytes long.
Data: <h|é>ƒ > 68 7C E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001833EE90F70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{277} normal block at 0x000001833EE97300, 16 bytes long.
Data: <@|é>ƒ > 40 7C E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001833EE912D0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{275} normal block at 0x000001833EE96C20, 16 bytes long.
Data: < {é>ƒ > 88 7B E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001833EE977B0, 16 bytes long.
Data: <`{é>ƒ > 60 7B E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001833EE97530, 16 bytes long.
Data: <8{é>ƒ > 38 7B E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001833EE974E0, 16 bytes long.
Data: < {é>ƒ > 10 7B E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001833EE96E50, 16 bytes long.
Data: <èzé>ƒ > E8 7A E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001833EE97490, 16 bytes long.
Data: <Àzé>ƒ > C0 7A E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001833EE97440, 16 bytes long.
Data: < eé>ƒ > 90 65 E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001833EE96590, 40 bytes long.
Data: <@té>ƒ ðbé>ƒ > 40 74 E9 3E 83 01 00 00 F0 62 E9 3E 83 01 00 00
{266} normal block at 0x000001833EE978A0, 16 bytes long.
Data: < zé>ƒ > A0 7A E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001833EE971C0, 16 bytes long.
Data: <xzé>ƒ > 78 7A E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001833EE916F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{263} normal block at 0x000001833EE976C0, 16 bytes long.
Data: <Pzé>ƒ > 50 7A E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001833EE97A50, 992 bytes long.
Data: <Àvé>ƒ ð é>ƒ > C0 76 E9 3E 83 01 00 00 F0 16 E9 3E 83 01 00 00
{98} normal block at 0x000001833EE91390, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{97} normal block at 0x000001833EE87580, 16 bytes long.
Data: <Ðcé>ƒ > D0 63 E9 3E 83 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001833EE963D0, 40 bytes long.
Data: < uè>ƒ é>ƒ > 80 75 E8 3E 83 01 00 00 90 13 E9 3E 83 01 00 00
{75} normal block at 0x000001833EE86FE0, 16 bytes long.
Data: < ê%È÷ > 80 EA 25 C8 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001833EE870D0, 16 bytes long.
Data: <@é%È÷ > 40 E9 25 C8 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001833EE86A90, 16 bytes long.
Data: <øW"È÷ > F8 57 22 C8 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001833EE86B80, 16 bytes long.
Data: <ØW"È÷ > D8 57 22 C8 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001833EE869F0, 16 bytes long.
Data: <P "È÷ > 50 04 22 C8 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001833EE87530, 16 bytes long.
Data: <0 "È÷ > 30 04 22 C8 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001833EE869A0, 16 bytes long.
Data: <à "È÷ > E0 02 22 C8 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001833EE874E0, 16 bytes long.
Data: < "È÷ > 10 04 22 C8 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001833EE873A0, 16 bytes long.
Data: <p "È÷ > 70 04 22 C8 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001833EE86950, 16 bytes long.
Data: < À È÷ > 18 C0 20 C8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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