Task 38602929

Name MCL1_A19_A23_r0_2-QUICO_ATM_GAFF2_NAGL_MCL1-3-6-RND4306_0
Workunit 31557260
Created 10 Apr 2026, 9:21:22 UTC
Sent 10 Apr 2026, 9:21:26 UTC
Report deadline 15 Apr 2026, 9:21:26 UTC
Received 10 Apr 2026, 11:59:34 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 8 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 51.96 MB
Peak swap size 37.06 MB
Peak disk usage 2.38 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>
13:57:15 (16080): wrapper (7.9.26016): starting
13:57:15 (16080): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A23_0.pdb
QB_A19_A23_0.xml
QB_A19_A23.inpcrd
QB_A19_A23_input.yaml
QB_A19_A23.pdb
QB_A19_A23.prmtop
QB_A19_A23_sys.xml
run.bat
run.sh
13:57:16 (16080): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:57:16 (16080): 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 0x000001C9BAA5FC10>: 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 0x000001C9BAA68910>: 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 0x000001C9BAA69190>: 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 0x000001C9BAA69B50>: 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 0x000001C9BAA6A4D0>: 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 0x00000164E2355590>: 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 0x00000164E2356210>: 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 0x00000164E2356F90>: 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 0x00000164E2357C10>: 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 0x00000164E2364750>: 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\\2\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
13:57:40 (16080): C:/Windows/system32/cmd.exe exited; CPU time 1.343750
13:57:40 (16080): app exit status: 0x16
13:57:40 (16080): 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: 392465 bytes.
Dumping objects ->
{3835555} normal block at 0x000002229D9D5830, 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 0x000002229F766720, 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 0x000002229F766F60, 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 0x000002229F766F00, 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 0x000002229F767320, 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 0x000002229D9D5750, 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 0x000002229DA2D7C0, 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 0x000002229D9CB930, 8 bytes long.
 Data: <  &#242; "   > 00 00 F2 9D 22 02 00 00 
{3834691} normal block at 0x000002229DA2CAC0, 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 0x000002229D9CB2A0, 8 bytes long.
 Data: <P&#221;&#155; "   > 50 DD 9B 9D 22 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002229D9C0EC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002229D9C26B0, 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 0x000002229D9D6A10, 16 bytes long.
 Data: < t  "           > 88 74 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002229D9D6740, 16 bytes long.
 Data: <`t  "           > 60 74 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002229D9D0A50, 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 0x000002229D9D65B0, 16 bytes long.
 Data: <8t  "           > 38 74 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002229D9D6C40, 16 bytes long.
 Data: < t  "           > 10 74 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002229D9D70F0, 16 bytes long.
 Data: <&#232;s  "           > E8 73 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002229D9D62E0, 16 bytes long.
 Data: <&#192;s  "           > C0 73 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002229D9D5670, 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 0x000002229D9D6EC0, 16 bytes long.
 Data: <  &#156; "           > 88 0D 9C 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002229D9D0990, 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 0x000002229D9D67E0, 16 bytes long.
 Data: <` &#156; "           > 60 0D 9C 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002229D9D68D0, 16 bytes long.
 Data: <8 &#156; "           > 38 0D 9C 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002229D9D6290, 16 bytes long.
 Data: <  &#156; "           > 10 0D 9C 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002229D9D6880, 16 bytes long.
 Data: <&#232; &#156; "           > E8 0C 9C 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002229D9D6650, 16 bytes long.
 Data: <&#192; &#156; "           > C0 0C 9C 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002229D9D70A0, 16 bytes long.
 Data: <  &#156; "           > 98 0C 9C 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002229D9D0E70, 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 0x000002229D9D69C0, 16 bytes long.
 Data: <p &#156; "           > 70 0C 9C 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002229D9C0C70, 320 bytes long.
 Data: <&#192;i  "   p   "   > C0 69 9D 9D 22 02 00 00 70 0E 9D 9D 22 02 00 00 
{277} normal block at 0x000002229D9D6240, 16 bytes long.
 Data: <&#160;s  "           > A0 73 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002229D9D64C0, 16 bytes long.
 Data: <xs  "           > 78 73 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002229D9D0E10, 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 0x000002229D9D7000, 16 bytes long.
 Data: <Ps  "           > 50 73 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002229D9D08D0, 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 0x000002229D9D61F0, 16 bytes long.
 Data: < r  "           > 98 72 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002229D9D6E70, 16 bytes long.
 Data: <pr  "           > 70 72 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002229D9D6F60, 16 bytes long.
 Data: <Hr  "           > 48 72 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002229D9D66F0, 16 bytes long.
 Data: < r  "           > 20 72 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002229D9D6FB0, 16 bytes long.
 Data: <&#248;q  "           > F8 71 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002229D9D7050, 16 bytes long.
 Data: <&#208;q  "           > D0 71 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002229D9D66A0, 16 bytes long.
 Data: <&#160;X  "           > A0 58 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002229D9D58A0, 40 bytes long.
 Data: <&#160;f  "   PW  "   > A0 66 9D 9D 22 02 00 00 50 57 9D 9D 22 02 00 00 
{263} normal block at 0x000002229D9D6BF0, 16 bytes long.
 Data: <&#176;q  "           > B0 71 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002229D9D6420, 16 bytes long.
 Data: < q  "           > 88 71 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002229D9D0930, 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 0x000002229D9D6CE0, 16 bytes long.
 Data: <`q  "           > 60 71 9D 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002229D9D7160, 992 bytes long.
 Data: <&#224;l  "   0	  "   > E0 6C 9D 9D 22 02 00 00 30 09 9D 9D 22 02 00 00 
{95} normal block at 0x000002229D9D0630, 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 0x000002229D9CB250, 16 bytes long.
 Data: <&#224;	&#156; "           > E0 09 9C 9D 22 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002229D9C09E0, 40 bytes long.
 Data: <P&#178;&#156; "   0   "   > 50 B2 9C 9D 22 02 00 00 30 06 9D 9D 22 02 00 00 
{72} normal block at 0x000002229D9CB110, 16 bytes long.
 Data: < &#234; &#192;&#246;           > 80 EA 98 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002229D9CBC50, 16 bytes long.
 Data: <@&#233; &#192;&#246;           > 40 E9 98 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002229D9CB160, 16 bytes long.
 Data: <&#248;W&#149;&#192;&#246;           > F8 57 95 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002229D9CB430, 16 bytes long.
 Data: <&#216;W&#149;&#192;&#246;           > D8 57 95 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002229D9CBCF0, 16 bytes long.
 Data: <P &#149;&#192;&#246;           > 50 04 95 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002229D9CB070, 16 bytes long.
 Data: <0 &#149;&#192;&#246;           > 30 04 95 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002229D9CB840, 16 bytes long.
 Data: <&#224; &#149;&#192;&#246;           > E0 02 95 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002229D9CBB10, 16 bytes long.
 Data: <  &#149;&#192;&#246;           > 10 04 95 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002229D9CB0C0, 16 bytes long.
 Data: <p &#149;&#192;&#246;           > 70 04 95 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002229D9CB200, 16 bytes long.
 Data: < &#192;&#147;&#192;&#246;           > 18 C0 93 C0 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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