Task 38627694

Name MCL1_RE_A39_A21_r0_5-QUICO_ATM_OpenFF23_NAGL_MCL1_RE-1-6-RND1392_0
Workunit 31577557
Created 24 Apr 2026, 12:53:41 UTC
Sent 24 Apr 2026, 12:53:49 UTC
Report deadline 29 Apr 2026, 12:53:49 UTC
Received 24 Apr 2026, 12:57:03 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 5 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 51.63 MB
Peak swap size 36.82 MB
Peak disk usage 3.87 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>
14:54:38 (10956): wrapper (7.9.26016): starting
14:54:38 (10956): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A39_A21_0.pdb
QB_A39_A21_0.xml
QB_A39_A21.inpcrd
QB_A39_A21_input.yaml
QB_A39_A21.pdb
QB_A39_A21.prmtop
QB_A39_A21_sys.xml
run.bat
run.sh
14:54:39 (10956): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:54:39 (10956): 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 0x000001407CA4FD10>: 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 0x000001407CA58950>: 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 0x000001407CA58F90>: 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 0x000001407CA59910>: 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 0x000001407CA5A390>: 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 0x000001ED599856D0>: 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 0x000001ED599864D0>: 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 0x000001ED59987110>: 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 0x000001ED59987D90>: 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 0x000001ED59994650>: 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
14:55:03 (10956): C:/Windows/system32/cmd.exe exited; CPU time 1.265625
14:55:03 (10956): app exit status: 0x16
14:55:03 (10956): 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: 438271 bytes.
Dumping objects ->
{3835555} normal block at 0x000001A433115A40, 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 0x000001A434E56F00, 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 0x000001A434E565A0, 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 0x000001A434E56C60, 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 0x000001A434E56480, 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 0x000001A4331159D0, 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 0x000001A43316D120, 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 0x000001A43310B820, 8 bytes long.
 Data: <  W3&#164;   > 00 00 57 33 A4 01 00 00 
{3834691} normal block at 0x000001A43316CB70, 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 0x000001A43310B5F0, 8 bytes long.
 Data: <`&#221; 3&#164;   > 60 DD 0F 33 A4 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001A433101650, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001A433102B40, 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 0x000001A4331163B0, 16 bytes long.
 Data: <ht 3&#164;           > 68 74 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001A433117080, 16 bytes long.
 Data: <@t 3&#164;           > 40 74 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A4331105B0, 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 0x000001A433116270, 16 bytes long.
 Data: < t 3&#164;           > 18 74 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001A4331162C0, 16 bytes long.
 Data: <&#240;s 3&#164;           > F0 73 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A433116950, 16 bytes long.
 Data: <&#200;s 3&#164;           > C8 73 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A433116E50, 16 bytes long.
 Data: <&#160;s 3&#164;           > A0 73 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A4331158F0, 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 0x000001A433116900, 16 bytes long.
 Data: <   3&#164;           > 98 0D 10 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A433110370, 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 0x000001A433116FE0, 16 bytes long.
 Data: <p  3&#164;           > 70 0D 10 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001A433116E00, 16 bytes long.
 Data: <H  3&#164;           > 48 0D 10 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A433116B30, 16 bytes long.
 Data: <   3&#164;           > 20 0D 10 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A433116AE0, 16 bytes long.
 Data: <&#248;  3&#164;           > F8 0C 10 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A433116310, 16 bytes long.
 Data: <&#208;  3&#164;           > D0 0C 10 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A433116C20, 16 bytes long.
 Data: <&#168;  3&#164;           > A8 0C 10 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A4331104F0, 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 0x000001A433116220, 16 bytes long.
 Data: <   3&#164;           > 80 0C 10 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A433100C80, 320 bytes long.
 Data: < b 3&#164;   &#240;  3&#164;   > 20 62 11 33 A4 01 00 00 F0 04 11 33 A4 01 00 00 
{277} normal block at 0x000001A4331164F0, 16 bytes long.
 Data: < s 3&#164;           > 80 73 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A433116720, 16 bytes long.
 Data: <Xs 3&#164;           > 58 73 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A433110A90, 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 0x000001A433116F90, 16 bytes long.
 Data: <0s 3&#164;           > 30 73 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001A433110190, 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 0x000001A4331166D0, 16 bytes long.
 Data: <xr 3&#164;           > 78 72 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A433116A90, 16 bytes long.
 Data: <Pr 3&#164;           > 50 72 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A4331165E0, 16 bytes long.
 Data: <(r 3&#164;           > 28 72 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A433116F40, 16 bytes long.
 Data: < r 3&#164;           > 00 72 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A433116EF0, 16 bytes long.
 Data: <&#216;q 3&#164;           > D8 71 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A433116C70, 16 bytes long.
 Data: <&#176;q 3&#164;           > B0 71 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A433116180, 16 bytes long.
 Data: < X 3&#164;           > 80 58 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A433115880, 40 bytes long.
 Data: < a 3&#164;   &#208;Y 3&#164;   > 80 61 11 33 A4 01 00 00 D0 59 11 33 A4 01 00 00 
{263} normal block at 0x000001A433116D60, 16 bytes long.
 Data: < q 3&#164;           > 90 71 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001A433116A40, 16 bytes long.
 Data: <hq 3&#164;           > 68 71 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A433110790, 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 0x000001A433116D10, 16 bytes long.
 Data: <@q 3&#164;           > 40 71 11 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001A433117140, 992 bytes long.
 Data: < m 3&#164;      3&#164;   > 10 6D 11 33 A4 01 00 00 90 07 11 33 A4 01 00 00 
{95} normal block at 0x000001A433110EB0, 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 0x000001A43310B460, 16 bytes long.
 Data: < &#199; 3&#164;           > 00 C7 0F 33 A4 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001A4330FC700, 40 bytes long.
 Data: <`&#180; 3&#164;   &#176;  3&#164;   > 60 B4 10 33 A4 01 00 00 B0 0E 11 33 A4 01 00 00 
{72} normal block at 0x000001A43310B1E0, 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 0x000001A43310B5A0, 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 0x000001A43310B230, 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 0x000001A43310B370, 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 0x000001A43310B870, 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 0x000001A43310B140, 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 0x000001A43310B7D0, 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 0x000001A43310AE70, 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 0x000001A43310BA00, 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 0x000001A43310B000, 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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