Task 38627731

Name MCL1_RE_A24_A33_r0_5-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-1-6-RND7180_1
Workunit 31577555
Created 24 Apr 2026, 13:05:28 UTC
Sent 24 Apr 2026, 13:05:32 UTC
Report deadline 29 Apr 2026, 13:05:32 UTC
Received 24 Apr 2026, 13:08:06 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 124372
Run time 1 min 4 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 22,727.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 51.89 MB
Peak swap size 37.01 MB
Peak disk usage 1.55 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
El sistema operativo no puede ejecutar (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
15:06:25 (19412): wrapper (7.9.26016): starting
15:06:25 (19412): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A24_A33_0.pdb
QB_A24_A33_0.xml
QB_A24_A33.inpcrd
QB_A24_A33_input.yaml
QB_A24_A33.pdb
QB_A24_A33.prmtop
QB_A24_A33_sys.xml
run.bat
run.sh
15:06:26 (19412): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:06:26 (19412): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000210854DFC10>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /simple/pyaml/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000210854E8850>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /simple/pyaml/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000210854E8E90>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /simple/pyaml/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000210854E9B10>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /simple/pyaml/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x00000210854EA290>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /simple/pyaml/
ERROR: Could not find a version that satisfies the requirement pyaml (from versions: none)
ERROR: No matching distribution found for pyaml
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002BD2E77FE90>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002BD2E8C60D0>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002BD2E8C6D10>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002BD2E8C7990>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /simple/atom-openmm/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('<pip._vendor.urllib3.connection.HTTPSConnection object at 0x000002BD2E8D4290>: Failed to establish a new connection: [WinError 10013] Intento de acceso a un socket no permitido por sus permisos de acceso')': /simple/atom-openmm/
ERROR: Could not find a version that satisfies the requirement atom-openmm (from versions: none)
ERROR: No matching distribution found for atom-openmm
python.exe: can't open file 'F:\\BOINC\\data\\slots\\5\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
15:06:50 (19412): C:/Windows/system32/cmd.exe exited; CPU time 1.203125
15:06:50 (19412): app exit status: 0x16
15:06:50 (19412): called boinc_finish(195)
0 bytes in 0 Free Blocks.
456 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: 399647 bytes.
Dumping objects ->
{3835555} normal block at 0x00000242FC4F5650, 48 bytes long.
 Data: <PATH=F:\BOINC\da> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835544} normal block at 0x00000242FE2A2040, 32 bytes long.
 Data: <HOME=F:\BOINC\da> 48 4F 4D 45 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835533} normal block at 0x00000242FE2A2A00, 32 bytes long.
 Data: <TMP=F:\BOINC\dat> 54 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835522} normal block at 0x00000242FE2A2F40, 32 bytes long.
 Data: <TEMP=F:\BOINC\da> 54 45 4D 50 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835511} normal block at 0x00000242FE2A2C40, 32 bytes long.
 Data: <TMPDIR=F:\BOINC\> 54 4D 50 44 49 52 3D 46 3A 5C 42 4F 49 4E 43 5C 
{3835480} normal block at 0x00000242FC4F5570, 48 bytes long.
 Data: <PATH=F:\BOINC\da> 50 41 54 48 3D 46 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835469} normal block at 0x00000242FC54D870, 140 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) : {3835466} normal block at 0x00000242FC4EBB90, 8 bytes long.
 Data: <  &#146;&#252;B   > 00 00 92 FC 42 02 00 00 
{3834691} normal block at 0x00000242FC54D390, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x00000242FC4EB1E0, 8 bytes long.
 Data: <`&#221;M&#252;B   > 60 DD 4D FC 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000242FC4E1290, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000242FC4E22D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000242FC4F6A90, 16 bytes long.
 Data: <htO&#252;B           > 68 74 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000242FC4F64A0, 16 bytes long.
 Data: <@tO&#252;B           > 40 74 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000242FC4F0730, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000242FC4F63B0, 16 bytes long.
 Data: < tO&#252;B           > 18 74 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000242FC4F6B30, 16 bytes long.
 Data: <&#240;sO&#252;B           > F0 73 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000242FC4F6A40, 16 bytes long.
 Data: <&#200;sO&#252;B           > C8 73 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000242FC4F6360, 16 bytes long.
 Data: <&#160;sO&#252;B           > A0 73 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000242FC4F5960, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000242FC4F6220, 16 bytes long.
 Data: <  N&#252;B           > 98 0D 4E FC 42 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000242FC4F07F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000242FC4F6450, 16 bytes long.
 Data: <p N&#252;B           > 70 0D 4E FC 42 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000242FC4F6310, 16 bytes long.
 Data: <H N&#252;B           > 48 0D 4E FC 42 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000242FC4F6400, 16 bytes long.
 Data: <  N&#252;B           > 20 0D 4E FC 42 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000242FC4F6F40, 16 bytes long.
 Data: <&#248; N&#252;B           > F8 0C 4E FC 42 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000242FC4F6AE0, 16 bytes long.
 Data: <&#208; N&#252;B           > D0 0C 4E FC 42 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000242FC4F6C20, 16 bytes long.
 Data: <&#168; N&#252;B           > A8 0C 4E FC 42 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000242FC4F0550, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000242FC4F6BD0, 16 bytes long.
 Data: <  N&#252;B           > 80 0C 4E FC 42 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000242FC4E0C80, 320 bytes long.
 Data: <&#208;kO&#252;B   P O&#252;B   > D0 6B 4F FC 42 02 00 00 50 05 4F FC 42 02 00 00 
{277} normal block at 0x00000242FC4F6EF0, 16 bytes long.
 Data: < sO&#252;B           > 80 73 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000242FC4F62C0, 16 bytes long.
 Data: <XsO&#252;B           > 58 73 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000242FC4F0250, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000242FC4F6590, 16 bytes long.
 Data: <0sO&#252;B           > 30 73 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000242FC4F0EB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000242FC4F69A0, 16 bytes long.
 Data: <xrO&#252;B           > 78 72 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000242FC4F6EA0, 16 bytes long.
 Data: <PrO&#252;B           > 50 72 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000242FC4F6270, 16 bytes long.
 Data: <(rO&#252;B           > 28 72 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000242FC4F6950, 16 bytes long.
 Data: < rO&#252;B           > 00 72 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000242FC4F6E50, 16 bytes long.
 Data: <&#216;qO&#252;B           > D8 71 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000242FC4F6680, 16 bytes long.
 Data: <&#176;qO&#252;B           > B0 71 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000242FC4F70D0, 16 bytes long.
 Data: <0WO&#252;B           > 30 57 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000242FC4F5730, 40 bytes long.
 Data: <&#208;pO&#252;B   pUO&#252;B   > D0 70 4F FC 42 02 00 00 70 55 4F FC 42 02 00 00 
{263} normal block at 0x00000242FC4F67C0, 16 bytes long.
 Data: < qO&#252;B           > 90 71 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000242FC4F6900, 16 bytes long.
 Data: <hqO&#252;B           > 68 71 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000242FC4F0C10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000242FC4F6DB0, 16 bytes long.
 Data: <@qO&#252;B           > 40 71 4F FC 42 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000242FC4F7140, 992 bytes long.
 Data: <&#176;mO&#252;B     O&#252;B   > B0 6D 4F FC 42 02 00 00 10 0C 4F FC 42 02 00 00 
{95} normal block at 0x00000242FC4F0790, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000242FC4EBBE0, 16 bytes long.
 Data: < &#199;M&#252;B           > 00 C7 4D FC 42 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000242FC4DC700, 40 bytes long.
 Data: <&#224;&#187;N&#252;B     O&#252;B   > E0 BB 4E FC 42 02 00 00 90 07 4F FC 42 02 00 00 
{72} normal block at 0x00000242FC4EB140, 16 bytes long.
 Data: < &#234;oM&#246;           > 80 EA 6F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000242FC4EB000, 16 bytes long.
 Data: <@&#233;oM&#246;           > 40 E9 6F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000242FC4EBA50, 16 bytes long.
 Data: <&#248;WlM&#246;           > F8 57 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000242FC4EB6E0, 16 bytes long.
 Data: <&#216;WlM&#246;           > D8 57 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000242FC4EB7D0, 16 bytes long.
 Data: <P lM&#246;           > 50 04 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000242FC4EB190, 16 bytes long.
 Data: <0 lM&#246;           > 30 04 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000242FC4EB780, 16 bytes long.
 Data: <&#224; lM&#246;           > E0 02 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000242FC4EBAA0, 16 bytes long.
 Data: <  lM&#246;           > 10 04 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000242FC4EAF60, 16 bytes long.
 Data: <p lM&#246;           > 70 04 6C 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000242FC4EAF10, 16 bytes long.
 Data: < &#192;jM&#246;           > 18 C0 6A 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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