Task 38609462
| Name | MCL1_A28_A25_r0_1-QUICO_ATM_GAFF2_NAGL_MCL1-3-6-RND7917_0 |
| Workunit | 31562519 |
| Created | 14 Apr 2026, 23:55:35 UTC |
| Sent | 14 Apr 2026, 23:55:43 UTC |
| Report deadline | 19 Apr 2026, 23:55:43 UTC |
| Received | 14 Apr 2026, 23:59:30 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 602992 |
| Run time | 2 min 6 sec |
| CPU time | 44 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 29,775.57 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 443.05 MB |
| Peak swap size | 12.54 GB |
| Peak disk usage | 1.44 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>
09:56:52 (26972): wrapper (7.9.26016): starting
09:56:52 (26972): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A25_0.pdb
QB_A28_A25_0.xml
QB_A28_A25.inpcrd
QB_A28_A25_input.yaml
QB_A28_A25.pdb
QB_A28_A25.prmtop
QB_A28_A25_sys.xml
run.bat
run.sh
09:56:53 (26972): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:56:53 (26972): 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 'F:\BOINC\slots\5\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 'F:\BOINC\slots\5\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 "F:\BOINC\slots\5\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "F:\BOINC\slots\5\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "F:\BOINC\slots\5\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "F:\BOINC\slots\5\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "F:\BOINC\slots\5\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\BOINC\slots\5\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\BOINC\slots\5\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "F:\BOINC\slots\5\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_ILLEGAL_ADDRESS (700)
09:58:04 (26972): C:/Windows/system32/cmd.exe exited; CPU time 44.375000
09:58:04 (26972): app exit status: 0x16
09:58:04 (26972): called boinc_finish(195)
0 bytes in 0 Free Blocks.
578 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: 1216697 bytes.
Dumping objects ->
{3835378} normal block at 0x0000016E9D2260E0, 48 bytes long.
Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835367} normal block at 0x0000016E9F0D2050, 32 bytes long.
Data: <HOME=F:\BOINC\sl> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835356} normal block at 0x0000016E9F0D18D0, 32 bytes long.
Data: <TMP=F:\BOINC\slo> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835345} normal block at 0x0000016E9F0D2D10, 32 bytes long.
Data: <TEMP=F:\BOINC\sl> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835334} normal block at 0x0000016E9F0D22F0, 32 bytes long.
Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C
{3835303} normal block at 0x0000016E9D2267E0, 48 bytes long.
Data: <PATH=F:\BOINC\sl> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835292} normal block at 0x0000016E9D21B0E0, 201 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) : {3835289} normal block at 0x0000016E9D21D570, 8 bytes long.
Data: < ~ n > 00 00 7E 9D 6E 01 00 00
{3834619} normal block at 0x0000016E9D21C2F0, 201 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833959} normal block at 0x0000016E9D21D2F0, 8 bytes long.
Data: <À× n > C0 D7 20 9D 6E 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000016E9D211470, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000016E9D211F70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x0000016E9D227160, 16 bytes long.
Data: < " n > 18 09 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000016E9D2276B0, 16 bytes long.
Data: <ð " n > F0 08 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000016E9D221530, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x0000016E9D226D50, 16 bytes long.
Data: <È " n > C8 08 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000016E9D226C60, 16 bytes long.
Data: <  " n > A0 08 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000016E9D227480, 16 bytes long.
Data: <x " n > 78 08 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000016E9D226E90, 16 bytes long.
Data: <P " n > 50 08 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000016E9D226150, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x0000016E9D227430, 16 bytes long.
Data: < ó n > 18 F3 20 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000016E9D221290, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x0000016E9D2273E0, 16 bytes long.
Data: <ðò n > F0 F2 20 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000016E9D227660, 16 bytes long.
Data: <Èò n > C8 F2 20 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000016E9D226C10, 16 bytes long.
Data: < ò n > A0 F2 20 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000016E9D226AD0, 16 bytes long.
Data: <xò n > 78 F2 20 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000016E9D2269E0, 16 bytes long.
Data: <Pò n > 50 F2 20 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000016E9D226940, 16 bytes long.
Data: <(ò n > 28 F2 20 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000016E9D220FF0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x0000016E9D227520, 16 bytes long.
Data: < ò n > 00 F2 20 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000016E9D20F200, 320 bytes long.
Data: < u" n ð " n > 20 75 22 9D 6E 01 00 00 F0 0F 22 9D 6E 01 00 00
{275} normal block at 0x0000016E9D226E40, 16 bytes long.
Data: <0 " n > 30 08 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000016E9D226990, 16 bytes long.
Data: < " n > 08 08 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000016E9D2213B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x0000016E9D227340, 16 bytes long.
Data: <à " n > E0 07 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000016E9D2215F0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x0000016E9D2272F0, 16 bytes long.
Data: <( " n > 28 07 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000016E9D2268F0, 16 bytes long.
Data: < " n > 00 07 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000016E9D226A80, 16 bytes long.
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{267} normal block at 0x0000016E9D2277A0, 16 bytes long.
Data: <° " n > B0 06 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000016E9D227110, 16 bytes long.
Data: < " n > 88 06 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000016E9D226BC0, 16 bytes long.
Data: <` " n > 60 06 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000016E9D226B20, 16 bytes long.
Data: <`d" n > 60 64 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000016E9D226460, 40 bytes long.
Data: < k" n àg" n > 20 6B 22 9D 6E 01 00 00 E0 67 22 9D 6E 01 00 00
{261} normal block at 0x0000016E9D2270C0, 16 bytes long.
Data: <@ " n > 40 06 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000016E9D226DF0, 16 bytes long.
Data: < " n > 18 06 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000016E9D220CF0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x0000016E9D226D00, 16 bytes long.
Data: <ð " n > F0 05 22 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000016E9D2205F0, 992 bytes long.
Data: < m" n ð " n > 00 6D 22 9D 6E 01 00 00 F0 0C 22 9D 6E 01 00 00
{93} normal block at 0x0000016E9D221350, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x0000016E9D21D2A0, 16 bytes long.
Data: <@å n > 40 E5 20 9D 6E 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000016E9D20E540, 40 bytes long.
Data: < Ò! n P " n > A0 D2 21 9D 6E 01 00 00 50 13 22 9D 6E 01 00 00
{70} normal block at 0x0000016E9D21D6B0, 16 bytes long.
Data: < ê ›ö > 80 EA 17 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000016E9D21DC00, 16 bytes long.
Data: <@é ›ö > 40 E9 17 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000016E9D21D660, 16 bytes long.
Data: <øW ›ö > F8 57 14 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000016E9D21DBB0, 16 bytes long.
Data: <ØW ›ö > D8 57 14 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000016E9D21D3E0, 16 bytes long.
Data: <P ›ö > 50 04 14 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000016E9D21D4D0, 16 bytes long.
Data: <0 ›ö > 30 04 14 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000016E9D21D5C0, 16 bytes long.
Data: <à ›ö > E0 02 14 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000016E9D21D250, 16 bytes long.
Data: < ›ö > 10 04 14 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000016E9D21D390, 16 bytes long.
Data: <p ›ö > 70 04 14 9B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000016E9D21D7A0, 16 bytes long.
Data: < À ›ö > 18 C0 12 9B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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