Task 38601802
| Name | PTP1B_A05_A03_r0_5-QUICO_ATM_GAFF2_NAGL_PTP1B-2-6-RND5121_0 |
| Workunit | 31556309 |
| Created | 9 Apr 2026, 17:50:15 UTC |
| Sent | 9 Apr 2026, 17:50:32 UTC |
| Report deadline | 14 Apr 2026, 17:50:32 UTC |
| Received | 9 Apr 2026, 18:03:50 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 618180 |
| Run time | 3 min 39 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 22,333.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 13.25 MB |
| Peak swap size | 6.76 MB |
| Peak disk usage | 3.71 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<message>
The operating system cannot run .
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:54:20 (33760): wrapper (7.9.26016): starting
12:54:20 (33760): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A05_A03_0.pdb
QB_A05_A03_0.xml
QB_A05_A03.inpcrd
QB_A05_A03_input.yaml
QB_A05_A03.pdb
QB_A05_A03.prmtop
QB_A05_A03_sys.xml
run.bat
run.sh
12:54:22 (33760): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:54:22 (33760): 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.
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 10, in rbfe_production
from atom_openmm.openmm_async_re import openmm_job_RBFE
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\atom_openmm\openmm_async_re.py", line 10, in <module>
import openmm as mm
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\__init__.py", line 24, in <module>
from openmm.openmm import *
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\openmm\openmm.py", line 1424, in <module>
import numpy
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\numpy\__init__.py", line 159, in <module>
from . import ma
File "C:\ProgramData\BOINC\slots\0\Lib\site-packages\numpy\ma\__init__.py", line 42, in <module>
from . import core
File "<frozen importlib._bootstrap>", line 1176, in _find_and_load
File "<frozen importlib._bootstrap>", line 1147, in _find_and_load_unlocked
File "<frozen importlib._bootstrap>", line 690, in _load_unlocked
File "<frozen importlib._bootstrap_external>", line 936, in exec_module
File "<frozen importlib._bootstrap_external>", line 1083, in get_code
File "<frozen importlib._bootstrap_external>", line 746, in _code_to_timestamp_pyc
MemoryError
13:01:03 (33760): C:/Windows/system32/cmd.exe exited; CPU time 13.687500
13:01:03 (33760): app exit status: 0x16
13:01:03 (33760): 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: 5087155 bytes.
Dumping objects ->
{3835241} normal block at 0x00000244C4ACD710, 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 0x00000244C4ACCBB0, 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 0x00000244C4ACD470, 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 0x00000244C4ACD390, 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 0x00000244C4ACD2B0, 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 0x00000244C6A610B0, 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 0x00000244C69A01D0, 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 0x00000244C4A9E230, 8 bytes long.
Data: < gÆD > 00 00 67 C6 44 02 00 00
{3834554} normal block at 0x00000244C69A0490, 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 0x00000244C4A9E690, 8 bytes long.
Data: <@å|ÆD > 40 E5 7C C6 44 02 00 00
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x00000244C4AA6C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000244C4A21ED0, 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 0x00000244C4AA3D40, 16 bytes long.
Data: <¨;ªÄD > A8 3B AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000244C4AA41A0, 16 bytes long.
Data: < ;ªÄD > 80 3B AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000244C4A9D8B0, 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 0x00000244C4AA4150, 16 bytes long.
Data: <X;ªÄD > 58 3B AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000244C4AA4100, 16 bytes long.
Data: <0;ªÄD > 30 3B AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000244C4AA49C0, 16 bytes long.
Data: < ;ªÄD > 08 3B AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000244C4AA4060, 16 bytes long.
Data: <à:ªÄD > E0 3A AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000244C4AA1CC0, 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 0x00000244C4AA43D0, 16 bytes long.
Data: <¨3ªÄD > A8 33 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000244C4A9CEF0, 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 0x00000244C4AA4470, 16 bytes long.
Data: < 3ªÄD > 80 33 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000244C4AA4830, 16 bytes long.
Data: <X3ªÄD > 58 33 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000244C4AA3FC0, 16 bytes long.
Data: <03ªÄD > 30 33 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000244C4AA4420, 16 bytes long.
Data: < 3ªÄD > 08 33 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000244C4AA4880, 16 bytes long.
Data: <à2ªÄD > E0 32 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000244C4AA4380, 16 bytes long.
Data: <¸2ªÄD > B8 32 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000244C4A9D670, 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 0x00000244C4AA3F70, 16 bytes long.
Data: < 2ªÄD > 90 32 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000244C4AA3290, 320 bytes long.
Data: <p?ªÄD pÖ©ÄD > 70 3F AA C4 44 02 00 00 70 D6 A9 C4 44 02 00 00
{280} normal block at 0x00000244C4AA4330, 16 bytes long.
Data: <À:ªÄD > C0 3A AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000244C4AA4AB0, 16 bytes long.
Data: < :ªÄD > 98 3A AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000244C4A9D550, 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 0x00000244C4AA4B50, 16 bytes long.
Data: <p:ªÄD > 70 3A AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000244C4A9D790, 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 0x00000244C4AA47E0, 16 bytes long.
Data: <¸9ªÄD > B8 39 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000244C4AA4BA0, 16 bytes long.
Data: < 9ªÄD > 90 39 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000244C4AA40B0, 16 bytes long.
Data: <h9ªÄD > 68 39 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000244C4A9EE10, 16 bytes long.
Data: <@9ªÄD > 40 39 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000244C4A9E640, 16 bytes long.
Data: < 9ªÄD > 18 39 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000244C4A9E280, 16 bytes long.
Data: <ð8ªÄD > F0 38 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000244C4A9ED70, 16 bytes long.
Data: <@ ªÄD > 40 20 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000244C4AA2040, 40 bytes long.
Data: <pí©ÄD ° ¦ÆD > 70 ED A9 C4 44 02 00 00 B0 10 A6 C6 44 02 00 00
{266} normal block at 0x00000244C4A9EC30, 16 bytes long.
Data: <Ð8ªÄD > D0 38 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000244C4A9EA00, 16 bytes long.
Data: <¨8ªÄD > A8 38 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000244C4A9CFB0, 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 0x00000244C4A9E5F0, 16 bytes long.
Data: < 8ªÄD > 80 38 AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000244C4AA3880, 992 bytes long.
Data: <ðå©ÄD °Ï©ÄD > F0 E5 A9 C4 44 02 00 00 B0 CF A9 C4 44 02 00 00
{98} normal block at 0x00000244C4A9DBB0, 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 0x00000244C4A9E9B0, 16 bytes long.
Data: <` ªÄD > 60 1F AA C4 44 02 00 00 00 00 00 00 00 00 00 00
{96} normal block at 0x00000244C4AA1F60, 40 bytes long.
Data: <°é©ÄD °Û©ÄD > B0 E9 A9 C4 44 02 00 00 B0 DB A9 C4 44 02 00 00
{75} normal block at 0x00000244C4A9EBE0, 16 bytes long.
Data: < ê[Ç÷ > 80 EA 5B C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000244C4A9EB90, 16 bytes long.
Data: <@é[Ç÷ > 40 E9 5B C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000244C4A9E780, 16 bytes long.
Data: <øWXÇ÷ > F8 57 58 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000244C4A9E190, 16 bytes long.
Data: <ØWXÇ÷ > D8 57 58 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000244C4A9E3C0, 16 bytes long.
Data: <P XÇ÷ > 50 04 58 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000244C4A9EE60, 16 bytes long.
Data: <0 XÇ÷ > 30 04 58 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000244C4A9E0A0, 16 bytes long.
Data: <à XÇ÷ > E0 02 58 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000244C4A9E7D0, 16 bytes long.
Data: < XÇ÷ > 10 04 58 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000244C4A9E8C0, 16 bytes long.
Data: <p XÇ÷ > 70 04 58 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000244C4A9E140, 16 bytes long.
Data: < ÀVÇ÷ > 18 C0 56 C7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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