Task 38629616
| Name | MCL1_RE_A15_A04_r0_2-QUICO_ATM_GAFF2_NAGL_MCL1_RE-2-6-RND8332_0 |
| Workunit | 31579053 |
| Created | 25 Apr 2026, 5:52:53 UTC |
| Sent | 25 Apr 2026, 5:53:00 UTC |
| Report deadline | 30 Apr 2026, 5:53:00 UTC |
| Received | 25 Apr 2026, 5:56:46 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 650130 |
| Run time | 1 min 16 sec |
| CPU time | |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 5,034.48 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 24.89 MB |
| Peak swap size | 12.88 MB |
| Peak disk usage | 1.54 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>
07:54:35 (3964): wrapper (7.9.26016): starting
07:54:35 (3964): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A04_0.pdb
QB_A15_A04_0.xml
QB_A15_A04.inpcrd
QB_A15_A04_input.yaml
QB_A15_A04.pdb
QB_A15_A04.prmtop
QB_A15_A04_sys.xml
run.bat
run.sh
07:54:36 (3964): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:54:36 (3964): 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\1\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\1\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\1\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\1\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\1\Lib\site-packages\atom_openmm\openmm_async_re.py", line 10, in <module>
import openmm as mm
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\__init__.py", line 24, in <module>
from openmm.openmm import *
File "C:\ProgramData\BOINC\slots\1\Lib\site-packages\openmm\openmm.py", line 10, in <module>
from . import _openmm
ImportError: DLL load failed while importing _openmm: The specified module could not be found.
07:54:47 (3964): C:/Windows/system32/cmd.exe exited; CPU time 0.468750
07:54:47 (3964): app exit status: 0x16
07:54:47 (3964): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 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: 608959 bytes.
Dumping objects ->
{3835256} normal block at 0x000001E1FB8EC990, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835245} normal block at 0x000001E1FB8ECDF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835234} normal block at 0x000001E1FB8ECD80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835223} normal block at 0x000001E1F9BA50B0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835212} normal block at 0x000001E1F9BA5740, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835181} normal block at 0x000001E1FB9397E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835168} normal block at 0x000001E1F9B9D570, 8 bytes long.
Data: < ÷ùá > 00 00 F7 F9 E1 01 00 00
{3833961} normal block at 0x000001E1F9B9DDE0, 8 bytes long.
Data: < ظùá > 00 D8 B8 F9 E1 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001E1F9B90990, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001E1F9B92690, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001E1F9BA5F00, 16 bytes long.
Data: <¨kºùá > A8 6B BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E1F9BA5910, 16 bytes long.
Data: < kºùá > 80 6B BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001E1F9BA1900, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001E1F9BA5CD0, 16 bytes long.
Data: <Xkºùá > 58 6B BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E1F9BA5B90, 16 bytes long.
Data: <0kºùá > 30 6B BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001E1F9BA61D0, 16 bytes long.
Data: < kºùá > 08 6B BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E1F9BA6810, 16 bytes long.
Data: <àjºùá > E0 6A BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E1F9BA5120, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001E1F9BA6450, 16 bytes long.
Data: <xó¸ùá > 78 F3 B8 F9 E1 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E1F9BA1B40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001E1F9BA60E0, 16 bytes long.
Data: <Pó¸ùá > 50 F3 B8 F9 E1 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E1F9BA5AA0, 16 bytes long.
Data: <(ó¸ùá > 28 F3 B8 F9 E1 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E1F9BA64A0, 16 bytes long.
Data: < ó¸ùá > 00 F3 B8 F9 E1 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E1F9BA5B40, 16 bytes long.
Data: <Øò¸ùá > D8 F2 B8 F9 E1 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E1F9BA5EB0, 16 bytes long.
Data: <°ò¸ùá > B0 F2 B8 F9 E1 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E1F9BA5D20, 16 bytes long.
Data: < ò¸ùá > 88 F2 B8 F9 E1 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E1F9BA1660, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001E1F9BA5AF0, 16 bytes long.
Data: <`ò¸ùá > 60 F2 B8 F9 E1 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E1F9B8F260, 320 bytes long.
Data: <ðZºùá ` ºùá > F0 5A BA F9 E1 01 00 00 60 16 BA F9 E1 01 00 00
{276} normal block at 0x000001E1F9BA5A50, 16 bytes long.
Data: <Àjºùá > C0 6A BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E1F9BA67C0, 16 bytes long.
Data: < jºùá > 98 6A BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E1F9BA1060, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001E1F9BA6310, 16 bytes long.
Data: <pjºùá > 70 6A BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E1F9BA1840, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001E1F9BA5D70, 16 bytes long.
Data: <¸iºùá > B8 69 BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E1F9BA5A00, 16 bytes long.
Data: < iºùá > 90 69 BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001E1F9BA6770, 16 bytes long.
Data: <hiºùá > 68 69 BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E1F9BA5960, 16 bytes long.
Data: <@iºùá > 40 69 BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E1F9BA63B0, 16 bytes long.
Data: < iºùá > 18 69 BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E1F9BA66D0, 16 bytes long.
Data: <ðhºùá > F0 68 BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E1F9BA6090, 16 bytes long.
Data: < Uºùá > 10 55 BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E1F9BA5510, 40 bytes long.
Data: < `ºùá à—“ûá > 90 60 BA F9 E1 01 00 00 E0 97 93 FB E1 01 00 00
{262} normal block at 0x000001E1F9BA6630, 16 bytes long.
Data: <Ðhºùá > D0 68 BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E1F9BA5C30, 16 bytes long.
Data: <¨hºùá > A8 68 BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E1F9BA1000, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001E1F9BA65E0, 16 bytes long.
Data: < hºùá > 80 68 BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E1F9BA6880, 992 bytes long.
Data: <àeºùá ºùá > E0 65 BA F9 E1 01 00 00 00 10 BA F9 E1 01 00 00
{94} normal block at 0x000001E1F9BA1780, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001E1F9B9D8E0, 16 bytes long.
Data: <ÀSºùá > C0 53 BA F9 E1 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001E1F9BA53C0, 40 bytes long.
Data: <àعùá ºùá > E0 D8 B9 F9 E1 01 00 00 80 17 BA F9 E1 01 00 00
{71} normal block at 0x000001E1F9B9DD40, 16 bytes long.
Data: < êüK÷ > 80 EA FC 4B F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001E1F9B9D200, 16 bytes long.
Data: <@éüK÷ > 40 E9 FC 4B F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001E1F9B9D520, 16 bytes long.
Data: <øWùK÷ > F8 57 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E1F9B9DC50, 16 bytes long.
Data: <ØWùK÷ > D8 57 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E1F9B9D7A0, 16 bytes long.
Data: <P ùK÷ > 50 04 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E1F9B9D4D0, 16 bytes long.
Data: <0 ùK÷ > 30 04 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E1F9B9DA20, 16 bytes long.
Data: <à ùK÷ > E0 02 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E1F9B9D980, 16 bytes long.
Data: < ùK÷ > 10 04 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E1F9B9D890, 16 bytes long.
Data: <p ùK÷ > 70 04 F9 4B F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E1F9B9DD90, 16 bytes long.
Data: < À÷K÷ > 18 C0 F7 4B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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