Task 38609636
| Name | hif2a_A39_A27_r0_5-QUICO_ATM_GAFF2_NAGL_hif2a-2-6-RND3528_0 |
| Workunit | 31562655 |
| Created | 15 Apr 2026, 1:23:30 UTC |
| Sent | 15 Apr 2026, 1:23:58 UTC |
| Report deadline | 20 Apr 2026, 1:23:58 UTC |
| Received | 16 Apr 2026, 17:32:16 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 618180 |
| Run time | 5 min 20 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,333.42 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 13.19 MB |
| Peak swap size | 6.76 MB |
| Peak disk usage | 3.37 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
20:29:26 (38124): wrapper (7.9.26016): starting
20:29:26 (38124): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A27_0.pdb
QB_A39_A27_0.xml
QB_A39_A27.inpcrd
QB_A39_A27_input.yaml
QB_A39_A27.pdb
QB_A39_A27.prmtop
QB_A39_A27_sys.xml
run.bat
run.sh
20:29:28 (38124): Library/usr/bin/tar.exe exited; CPU time 0.031250
20:29:28 (38124): 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\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 'C:\ProgramData\BOINC\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 "C:\ProgramData\BOINC\slots\0\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
rx = openmm_job_RBFE(
^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 427, in __init__
self.service_worker = ommworkercls(self.basename, service_ommsys, self.keywords, compute = False, logger = self.logger)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 53, in __init__
self.start_worker()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 443, in start_worker
self._openmm_worker_body()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommworker.py", line 198, in _openmm_worker_body
self.ommsystem.create_system()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 872, in create_system
self.load_system()
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\ommsystem.py", line 105, in load_system
self.system = XmlSerializer.deserialize(input.read())
^^^^^^^^^^^^
MemoryError
22:42:37 (38124): C:/Windows/system32/cmd.exe exited; CPU time 32.453125
22:42:37 (38124): app exit status: 0x16
22:42:37 (38124): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 82815471 bytes.
Dumping objects ->
{3835241} normal block at 0x000001F899E2C7C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835230} normal block at 0x000001F899E2C750, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835219} normal block at 0x000001F899E2CDE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835208} normal block at 0x000001F899E2C4B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x000001F899E2C590, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835166} normal block at 0x000001F89BB69660, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835155} normal block at 0x000001F89BB6FCF0, 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) : {3835152} normal block at 0x000001F899DFE720, 8 bytes long.
Data: < p›ø > 00 00 70 9B F8 01 00 00
{3834554} normal block at 0x000001F89BB701C0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833969} normal block at 0x000001F899DFE9A0, 8 bytes long.
Data: <@©¶›ø > 40 A9 B6 9B F8 01 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x000001F899E04E40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001F899D81D30, 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 0x000001F899E04790, 16 bytes long.
Data: <¨;à ø > A8 3B E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001F899E03ED0, 16 bytes long.
Data: < ;à ø > 80 3B E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001F899DFDCB0, 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 0x000001F899E04A10, 16 bytes long.
Data: <X;à ø > 58 3B E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F899E03F20, 16 bytes long.
Data: <0;à ø > 30 3B E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001F899E047E0, 16 bytes long.
Data: < ;à ø > 08 3B E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F899E03FC0, 16 bytes long.
Data: <à:à ø > E0 3A E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F899E01DA0, 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 0x000001F899E044C0, 16 bytes long.
Data: < 4à ø > 88 34 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F899DFD2F0, 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 0x000001F899E03D40, 16 bytes long.
Data: <`4à ø > 60 34 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F899E04470, 16 bytes long.
Data: <84à ø > 38 34 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001F899E045B0, 16 bytes long.
Data: < 4à ø > 10 34 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F899E04420, 16 bytes long.
Data: <è3à ø > E8 33 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001F899E04880, 16 bytes long.
Data: <À3à ø > C0 33 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001F899E043D0, 16 bytes long.
Data: < 3à ø > 98 33 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F899DFDB90, 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 0x000001F899E04240, 16 bytes long.
Data: <p3à ø > 70 33 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F899E03370, 320 bytes long.
Data: <@Bà ø Ûß ø > 40 42 E0 99 F8 01 00 00 90 DB DF 99 F8 01 00 00
{280} normal block at 0x000001F899E04100, 16 bytes long.
Data: <À:à ø > C0 3A E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F899E04380, 16 bytes long.
Data: < :à ø > 98 3A E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F899DFD290, 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 0x000001F899E04060, 16 bytes long.
Data: <p:à ø > 70 3A E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F899DFD110, 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 0x000001F899E04AB0, 16 bytes long.
Data: <¸9à ø > B8 39 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F899E03F70, 16 bytes long.
Data: < 9à ø > 90 39 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F899E04A60, 16 bytes long.
Data: <h9à ø > 68 39 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001F899DFEFE0, 16 bytes long.
Data: <@9à ø > 40 39 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F899DFE680, 16 bytes long.
Data: < 9à ø > 18 39 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001F899DFEF90, 16 bytes long.
Data: <ð8à ø > F0 38 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F899DFE630, 16 bytes long.
Data: < !à ø > 90 21 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F899E02190, 40 bytes long.
Data: <0æß ø `–¶›ø > 30 E6 DF 99 F8 01 00 00 60 96 B6 9B F8 01 00 00
{266} normal block at 0x000001F899DFEBD0, 16 bytes long.
Data: <Ð8à ø > D0 38 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F899DFEF40, 16 bytes long.
Data: <¨8à ø > A8 38 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001F899DFD4D0, 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 0x000001F899DFEB30, 16 bytes long.
Data: < 8à ø > 80 38 E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F899E03880, 992 bytes long.
Data: <0ëß ø ÐÔß ø > 30 EB DF 99 F8 01 00 00 D0 D4 DF 99 F8 01 00 00
{98} normal block at 0x000001F899DFD0B0, 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 0x000001F899DFE4F0, 16 bytes long.
Data: < à ø > 10 1E E0 99 F8 01 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x000001F899E01E10, 40 bytes long.
Data: <ðäß ø °Ðß ø > F0 E4 DF 99 F8 01 00 00 B0 D0 DF 99 F8 01 00 00
{75} normal block at 0x000001F899DFF030, 16 bytes long.
Data: < êP ÷ > 80 EA 50 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001F899DFEC20, 16 bytes long.
Data: <@éP ÷ > 40 E9 50 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001F899DFE3B0, 16 bytes long.
Data: <øWM ÷ > F8 57 4D 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001F899DFE5E0, 16 bytes long.
Data: <ØWM ÷ > D8 57 4D 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001F899DFED60, 16 bytes long.
Data: <P M ÷ > 50 04 4D 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001F899DFEB80, 16 bytes long.
Data: <0 M ÷ > 30 04 4D 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F899DFE540, 16 bytes long.
Data: <à M ÷ > E0 02 4D 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F899DFE770, 16 bytes long.
Data: < M ÷ > 10 04 4D 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F899DFE400, 16 bytes long.
Data: <p M ÷ > 70 04 4D 0B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F899DFED10, 16 bytes long.
Data: < ÀK ÷ > 18 C0 4B 0B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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