Task 38627774

Name cdk8_A02_A01_r0_4-QUICO_ATM_OpenFF23_NAGL_cdk8-3-6-RND2805_0
Workunit 31577591
Created 24 Apr 2026, 13:16:04 UTC
Sent 24 Apr 2026, 13:16:11 UTC
Report deadline 29 Apr 2026, 13:16:11 UTC
Received 24 Apr 2026, 13:19:24 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 11 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 51.74 MB
Peak swap size 36.98 MB
Peak disk usage 1.61 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>
15:17:09 (5860): wrapper (7.9.26016): starting
15:17:09 (5860): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A02_A01_0.pdb
QB_A02_A01_0.xml
QB_A02_A01.inpcrd
QB_A02_A01_input.yaml
QB_A02_A01.pdb
QB_A02_A01.prmtop
QB_A02_A01_sys.xml
run.bat
run.sh
15:17:11 (5860): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:17:11 (5860): 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 0x00000164A6BB9A90>: 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 0x00000164A7DA0910>: 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 0x00000164A7DA0F50>: 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 0x00000164A7DA1B90>: 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 0x00000164A7DA2290>: 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 0x00000123B74D52D0>: 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 0x00000123B74D6090>: 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 0x00000123B74D6C90>: 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 0x00000123B74D78D0>: 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 0x00000123B74E4490>: 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
15:17:39 (5860): C:/Windows/system32/cmd.exe exited; CPU time 1.281250
15:17:39 (5860): app exit status: 0x16
15:17:39 (5860): 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: 399013 bytes.
Dumping objects ->
{3835555} normal block at 0x0000020C73805730, 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 0x0000020C755B70E0, 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 0x0000020C755B6720, 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 0x0000020C755B7020, 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 0x0000020C755B73E0, 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 0x0000020C73805960, 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 0x0000020C7385D050, 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 0x0000020C737FBD20, 8 bytes long.
 Data: <  &#227;s    > 00 00 E3 73 0C 02 00 00 
{3834691} normal block at 0x0000020C7385C280, 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 0x0000020C737FB5A0, 8 bytes long.
 Data: <`&#221;~s    > 60 DD 7E 73 0C 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000020C737F1C90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000020C737F1EE0, 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 0x0000020C73806310, 16 bytes long.
 Data: <ht s            > 68 74 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020C738070D0, 16 bytes long.
 Data: <@t s            > 40 74 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020C73800BB0, 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 0x0000020C738067C0, 16 bytes long.
 Data: < t s            > 18 74 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020C738062C0, 16 bytes long.
 Data: <&#240;s s            > F0 73 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020C73806F40, 16 bytes long.
 Data: <&#200;s s            > C8 73 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020C73806EF0, 16 bytes long.
 Data: <&#160;s s            > A0 73 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020C738059D0, 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 0x0000020C73806E50, 16 bytes long.
 Data: <   s            > 98 0D 7F 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020C738006D0, 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 0x0000020C73806C70, 16 bytes long.
 Data: <p  s            > 70 0D 7F 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020C73806E00, 16 bytes long.
 Data: <H  s            > 48 0D 7F 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020C73806540, 16 bytes long.
 Data: <   s            > 20 0D 7F 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020C73807080, 16 bytes long.
 Data: <&#248;  s            > F8 0C 7F 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020C73806F90, 16 bytes long.
 Data: <&#208;  s            > D0 0C 7F 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020C73806DB0, 16 bytes long.
 Data: <&#168;  s            > A8 0C 7F 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020C73800970, 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 0x0000020C738065E0, 16 bytes long.
 Data: <   s            > 80 0C 7F 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020C737F0C80, 320 bytes long.
 Data: <&#224;e s    p	 s    > E0 65 80 73 0C 02 00 00 70 09 80 73 0C 02 00 00 
{277} normal block at 0x0000020C73806FE0, 16 bytes long.
 Data: < s s            > 80 73 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020C73806770, 16 bytes long.
 Data: <Xs s            > 58 73 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020C73800FD0, 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 0x0000020C73806C20, 16 bytes long.
 Data: <0s s            > 30 73 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020C73800670, 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 0x0000020C73806720, 16 bytes long.
 Data: <xr s            > 78 72 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020C738068B0, 16 bytes long.
 Data: <Pr s            > 50 72 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020C73807030, 16 bytes long.
 Data: <(r s            > 28 72 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020C73806B30, 16 bytes long.
 Data: < r s            > 00 72 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020C738064A0, 16 bytes long.
 Data: <&#216;q s            > D8 71 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020C738063B0, 16 bytes long.
 Data: <&#176;q s            > B0 71 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020C73806EA0, 16 bytes long.
 Data: <&#176;Z s            > B0 5A 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020C73805AB0, 40 bytes long.
 Data: <&#160;n s    `Y s    > A0 6E 80 73 0C 02 00 00 60 59 80 73 0C 02 00 00 
{263} normal block at 0x0000020C73806860, 16 bytes long.
 Data: < q s            > 90 71 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020C73806680, 16 bytes long.
 Data: <hq s            > 68 71 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020C73800610, 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 0x0000020C73806D60, 16 bytes long.
 Data: <@q s            > 40 71 80 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020C73807140, 992 bytes long.
 Data: <`m s       s    > 60 6D 80 73 0C 02 00 00 10 06 80 73 0C 02 00 00 
{95} normal block at 0x0000020C738004F0, 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 0x0000020C737FB960, 16 bytes long.
 Data: < &#199;~s            > 00 C7 7E 73 0C 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000020C737EC700, 40 bytes long.
 Data: <`&#185; s    &#240;  s    > 60 B9 7F 73 0C 02 00 00 F0 04 80 73 0C 02 00 00 
{72} normal block at 0x0000020C737FAF60, 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 0x0000020C737FB870, 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 0x0000020C737FB690, 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 0x0000020C737FB000, 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 0x0000020C737FB230, 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 0x0000020C737FB780, 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 0x0000020C737FB280, 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 0x0000020C737FB910, 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 0x0000020C737FBCD0, 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 0x0000020C737FB2D0, 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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