Task 38629539
| Name | MCL1_RE_A33_A36_r0_5-QUICO_ATM_GAFF2_NAGL_MCL1_RE-2-6-RND6857_0 |
| Workunit | 31578993 |
| Created | 25 Apr 2026, 5:13:21 UTC |
| Sent | 25 Apr 2026, 5:13:32 UTC |
| Report deadline | 30 Apr 2026, 5:13:32 UTC |
| Received | 25 Apr 2026, 5:26:08 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 18 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 | 41.72 MB |
| Peak swap size | 29.07 MB |
| Peak disk usage | 1.46 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>
07:24:42 (17344): wrapper (7.9.26016): starting
07:24:42 (17344): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A33_A36_0.pdb
QB_A33_A36_0.xml
QB_A33_A36.inpcrd
QB_A33_A36_input.yaml
QB_A33_A36.pdb
QB_A33_A36.prmtop
QB_A33_A36_sys.xml
run.bat
run.sh
07:24:43 (17344): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:24:43 (17344): 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.
07:24:54 (17344): C:/Windows/system32/cmd.exe exited; CPU time 0.296875
07:24:54 (17344): app exit status: 0x16
07:24:54 (17344): 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: 602227 bytes.
Dumping objects ->
{3835256} normal block at 0x000001AEB224B390, 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 0x000001AEB224AAD0, 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 0x000001AEB224AE50, 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 0x000001AEB2226360, 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 0x000001AEB22261A0, 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 0x000001AEB3FBAF10, 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 0x000001AEB221EC40, 8 bytes long.
Data: < ‡²® > 00 00 87 B2 AE 01 00 00
{3833961} normal block at 0x000001AEB221E740, 8 bytes long.
Data: < Ø ²® > 00 D8 20 B2 AE 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001AEB2210FA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001AEB2212940, 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 0x000001AEB22276C0, 16 bytes long.
Data: <h~"²® > 68 7E 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001AEB2226EA0, 16 bytes long.
Data: <@~"²® > 40 7E 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001AEB2222AD0, 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 0x000001AEB2227210, 16 bytes long.
Data: < ~"²® > 18 7E 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AEB22278F0, 16 bytes long.
Data: <ð}"²® > F0 7D 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001AEB2227300, 16 bytes long.
Data: <È}"²® > C8 7D 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AEB2226DB0, 16 bytes long.
Data: < }"²® > A0 7D 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AEB2226670, 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 0x000001AEB2227760, 16 bytes long.
Data: <(ÿ ²® > 28 FF 20 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AEB2222CB0, 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 0x000001AEB2226F40, 16 bytes long.
Data: < ÿ ²® > 00 FF 20 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AEB2226E00, 16 bytes long.
Data: <Øþ ²® > D8 FE 20 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001AEB2227490, 16 bytes long.
Data: <°þ ²® > B0 FE 20 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AEB22271C0, 16 bytes long.
Data: < þ ²® > 88 FE 20 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001AEB22278A0, 16 bytes long.
Data: <`þ ²® > 60 FE 20 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001AEB22277B0, 16 bytes long.
Data: <8þ ²® > 38 FE 20 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001AEB22225F0, 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 0x000001AEB2227940, 16 bytes long.
Data: < þ ²® > 10 FE 20 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AEB220FE10, 320 bytes long.
Data: <@y"²® ð%"²® > 40 79 22 B2 AE 01 00 00 F0 25 22 B2 AE 01 00 00
{276} normal block at 0x000001AEB2226C20, 16 bytes long.
Data: < }"²® > 80 7D 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AEB2227620, 16 bytes long.
Data: <X}"²® > 58 7D 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AEB22224D0, 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 0x000001AEB2226E50, 16 bytes long.
Data: <0}"²® > 30 7D 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AEB2222A10, 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 0x000001AEB2227170, 16 bytes long.
Data: <x|"²® > 78 7C 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AEB2226EF0, 16 bytes long.
Data: <P|"²® > 50 7C 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AEB22270D0, 16 bytes long.
Data: <(|"²® > 28 7C 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001AEB2227530, 16 bytes long.
Data: < |"²® > 00 7C 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AEB22273F0, 16 bytes long.
Data: <Ø{"²® > D8 7B 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001AEB22275D0, 16 bytes long.
Data: <°{"²® > B0 7B 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AEB2226D60, 16 bytes long.
Data: < b"²® > 10 62 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AEB2226210, 40 bytes long.
Data: <`m"²® ¯û³® > 60 6D 22 B2 AE 01 00 00 10 AF FB B3 AE 01 00 00
{262} normal block at 0x000001AEB22272B0, 16 bytes long.
Data: < {"²® > 90 7B 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AEB2227440, 16 bytes long.
Data: <h{"²® > 68 7B 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001AEB22226B0, 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 0x000001AEB2226FE0, 16 bytes long.
Data: <@{"²® > 40 7B 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001AEB2227B40, 992 bytes long.
Data: <ào"²® °&"²® > E0 6F 22 B2 AE 01 00 00 B0 26 22 B2 AE 01 00 00
{94} normal block at 0x000001AEB22223B0, 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 0x000001AEB221E4C0, 16 bytes long.
Data: <@d"²® > 40 64 22 B2 AE 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001AEB2226440, 40 bytes long.
Data: <Àä!²® °#"²® > C0 E4 21 B2 AE 01 00 00 B0 23 22 B2 AE 01 00 00
{71} normal block at 0x000001AEB221ED80, 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 0x000001AEB221F190, 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 0x000001AEB221F0F0, 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 0x000001AEB221EE70, 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 0x000001AEB221ECE0, 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 0x000001AEB221E8D0, 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 0x000001AEB221E6F0, 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 0x000001AEB221ED30, 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 0x000001AEB221E6A0, 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 0x000001AEB221EA60, 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>
]]>
©2026 Universitat Pompeu Fabra