Task 38627742

Name cdk8_A20_A26_r0_1-QUICO_ATM_OpenFF23_NAGL_cdk8-1-6-RND9014_1
Workunit 31577565
Created 24 Apr 2026, 13:07:28 UTC
Sent 24 Apr 2026, 13:08:06 UTC
Report deadline 29 Apr 2026, 13:08:06 UTC
Received 24 Apr 2026, 13:11:15 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 10 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 52.04 MB
Peak swap size 37.12 MB
Peak disk usage 2.91 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>
15:09:06 (8712): wrapper (7.9.26016): starting
15:09:06 (8712): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A20_A26_0.pdb
QB_A20_A26_0.xml
QB_A20_A26.inpcrd
QB_A20_A26_input.yaml
QB_A20_A26.pdb
QB_A20_A26.prmtop
QB_A20_A26_sys.xml
run.bat
run.sh
15:09:08 (8712): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:09:08 (8712): 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 0x000001F49A9CFC10>: 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 0x000001F49A9D8810>: 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 0x000001F49A9D8E10>: 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 0x000001F49A9D97D0>: 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 0x000001F49A9DA250>: 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 0x000001B2C1395410>: 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 0x000001B2C13961D0>: 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 0x000001B2C1396D10>: 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 0x000001B2C1397A50>: 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 0x000001B2C13A0350>: 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
15:09:37 (8712): C:/Windows/system32/cmd.exe exited; CPU time 1.218750
15:09:37 (8712): app exit status: 0x16
15:09:37 (8712): 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: 403621 bytes.
Dumping objects ->
{3835555} normal block at 0x0000019FA1595570, 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 0x0000019FA32576E0, 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 0x0000019FA3256B40, 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 0x0000019FA32566C0, 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 0x0000019FA3257740, 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 0x0000019FA1595B90, 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 0x0000019FA15ED600, 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 0x0000019FA158B780, 8 bytes long.
 Data: <  	&#163;&#159;   > 00 00 09 A3 9F 01 00 00 
{3834691} normal block at 0x0000019FA15EBE70, 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 0x0000019FA158B730, 8 bytes long.
 Data: <`&#221;W&#161;&#159;   > 60 DD 57 A1 9F 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019FA1580ED0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019FA1582000, 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 0x0000019FA1596C70, 16 bytes long.
 Data: <htY&#161;&#159;           > 68 74 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019FA1596C20, 16 bytes long.
 Data: <@tY&#161;&#159;           > 40 74 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019FA1591090, 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 0x0000019FA1596540, 16 bytes long.
 Data: < tY&#161;&#159;           > 18 74 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019FA1596DB0, 16 bytes long.
 Data: <&#240;sY&#161;&#159;           > F0 73 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019FA1596D10, 16 bytes long.
 Data: <&#200;sY&#161;&#159;           > C8 73 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019FA1596B80, 16 bytes long.
 Data: <&#160;sY&#161;&#159;           > A0 73 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019FA15957A0, 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 0x0000019FA1596630, 16 bytes long.
 Data: <  X&#161;&#159;           > 98 0D 58 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019FA1590C70, 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 0x0000019FA15969F0, 16 bytes long.
 Data: <p X&#161;&#159;           > 70 0D 58 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019FA1596900, 16 bytes long.
 Data: <H X&#161;&#159;           > 48 0D 58 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019FA1596450, 16 bytes long.
 Data: <  X&#161;&#159;           > 20 0D 58 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019FA15964A0, 16 bytes long.
 Data: <&#248; X&#161;&#159;           > F8 0C 58 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019FA1596360, 16 bytes long.
 Data: <&#208; X&#161;&#159;           > D0 0C 58 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019FA1596B30, 16 bytes long.
 Data: <&#168; X&#161;&#159;           > A8 0C 58 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019FA15905B0, 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 0x0000019FA1596BD0, 16 bytes long.
 Data: <  X&#161;&#159;           > 80 0C 58 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019FA1580C80, 320 bytes long.
 Data: <&#208;kY&#161;&#159;   &#176; Y&#161;&#159;   > D0 6B 59 A1 9F 01 00 00 B0 05 59 A1 9F 01 00 00 
{277} normal block at 0x0000019FA1596A90, 16 bytes long.
 Data: < sY&#161;&#159;           > 80 73 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019FA1596CC0, 16 bytes long.
 Data: <XsY&#161;&#159;           > 58 73 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019FA1590250, 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 0x0000019FA15968B0, 16 bytes long.
 Data: <0sY&#161;&#159;           > 30 73 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019FA15901F0, 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 0x0000019FA1596950, 16 bytes long.
 Data: <xrY&#161;&#159;           > 78 72 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019FA1596590, 16 bytes long.
 Data: <PrY&#161;&#159;           > 50 72 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019FA1596EF0, 16 bytes long.
 Data: <(rY&#161;&#159;           > 28 72 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019FA15970D0, 16 bytes long.
 Data: < rY&#161;&#159;           > 00 72 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019FA1597030, 16 bytes long.
 Data: <&#216;qY&#161;&#159;           > D8 71 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019FA15963B0, 16 bytes long.
 Data: <&#176;qY&#161;&#159;           > B0 71 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019FA15966D0, 16 bytes long.
 Data: <0WY&#161;&#159;           > 30 57 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019FA1595730, 40 bytes long.
 Data: <&#208;fY&#161;&#159;    [Y&#161;&#159;   > D0 66 59 A1 9F 01 00 00 90 5B 59 A1 9F 01 00 00 
{263} normal block at 0x0000019FA15969A0, 16 bytes long.
 Data: < qY&#161;&#159;           > 90 71 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019FA15965E0, 16 bytes long.
 Data: <hqY&#161;&#159;           > 68 71 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019FA1591030, 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 0x0000019FA1596400, 16 bytes long.
 Data: <@qY&#161;&#159;           > 40 71 59 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019FA1597140, 992 bytes long.
 Data: < dY&#161;&#159;   0 Y&#161;&#159;   > 00 64 59 A1 9F 01 00 00 30 10 59 A1 9F 01 00 00 
{95} normal block at 0x0000019FA1590F10, 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 0x0000019FA158B190, 16 bytes long.
 Data: < &#199;W&#161;&#159;           > 00 C7 57 A1 9F 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000019FA157C700, 40 bytes long.
 Data: < &#177;X&#161;&#159;     Y&#161;&#159;   > 90 B1 58 A1 9F 01 00 00 10 0F 59 A1 9F 01 00 00 
{72} normal block at 0x0000019FA158B8C0, 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 0x0000019FA158BC80, 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 0x0000019FA158B9B0, 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 0x0000019FA158B500, 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 0x0000019FA158B960, 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 0x0000019FA158AE20, 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 0x0000019FA158AEC0, 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 0x0000019FA158B5F0, 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 0x0000019FA158B3C0, 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 0x0000019FA158BD20, 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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