Task 38599606

Name p38_A23_A08_r0_3-QUICO_ATM_GAFF2_NAGL_p38-2-6-RND5330_0
Workunit 31554487
Created 8 Apr 2026, 19:20:35 UTC
Sent 8 Apr 2026, 19:20:42 UTC
Report deadline 13 Apr 2026, 19:20:42 UTC
Received 8 Apr 2026, 19:23:25 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 51.74 MB
Peak swap size 37.00 MB
Peak disk usage 1.57 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>
21:21:36 (12196): wrapper (7.9.26016): starting
21:21:36 (12196): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A23_A08_0.pdb
QB_A23_A08_0.xml
QB_A23_A08.inpcrd
QB_A23_A08_input.yaml
QB_A23_A08.pdb
QB_A23_A08.prmtop
QB_A23_A08_sys.xml
run.bat
run.sh
21:21:37 (12196): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:21:37 (12196): 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 0x000001C79B68FD10>: 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 0x000001C79B6989D0>: 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 0x000001C79B698F90>: 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 0x000001C79B699950>: 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 0x000001C79B69A590>: 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 0x0000024FDF1A5410>: 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 0x0000024FDF1A61D0>: 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 0x0000024FDF1A6D10>: 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 0x0000024FDF1A7A50>: 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 0x0000024FDF1B4350>: 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
21:22:04 (12196): C:/Windows/system32/cmd.exe exited; CPU time 1.250000
21:22:04 (12196): app exit status: 0x16
21:22:04 (12196): 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: 361057 bytes.
Dumping objects ->
{3835555} normal block at 0x000001BC0E1A5A60, 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 0x000001BC0FE657C0, 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 0x000001BC0FE64C20, 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 0x000001BC0FE66120, 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 0x000001BC0FE65760, 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 0x000001BC0E1A59F0, 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 0x000001BC0E1FC2A0, 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 0x000001BC0E19B9D0, 8 bytes long.
 Data: <    &#188;   > 00 00 16 0E BC 01 00 00 
{3834691} normal block at 0x000001BC0E1FBF60, 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 0x000001BC0E19B520, 8 bytes long.
 Data: <P&#221;  &#188;   > 50 DD 18 0E BC 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001BC0E191B40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001BC0E192350, 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 0x000001BC0E1A6880, 16 bytes long.
 Data: < t  &#188;           > 88 74 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001BC0E1A6B00, 16 bytes long.
 Data: <`t  &#188;           > 60 74 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001BC0E1A0BD0, 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 0x000001BC0E1A6AB0, 16 bytes long.
 Data: <8t  &#188;           > 38 74 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001BC0E1A6830, 16 bytes long.
 Data: < t  &#188;           > 10 74 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BC0E1A6740, 16 bytes long.
 Data: <&#232;s  &#188;           > E8 73 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BC0E1A6EC0, 16 bytes long.
 Data: <&#192;s  &#188;           > C0 73 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001BC0E1A57C0, 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 0x000001BC0E1A6C90, 16 bytes long.
 Data: <    &#188;           > 88 0D 19 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BC0E1A0F90, 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 0x000001BC0E1A6920, 16 bytes long.
 Data: <`   &#188;           > 60 0D 19 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001BC0E1A6E70, 16 bytes long.
 Data: <8   &#188;           > 38 0D 19 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BC0E1A61F0, 16 bytes long.
 Data: <    &#188;           > 10 0D 19 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001BC0E1A6290, 16 bytes long.
 Data: <&#232;   &#188;           > E8 0C 19 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001BC0E1A70F0, 16 bytes long.
 Data: <&#192;   &#188;           > C0 0C 19 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BC0E1A6380, 16 bytes long.
 Data: <    &#188;           > 98 0C 19 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BC0E1A03F0, 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 0x000001BC0E1A6650, 16 bytes long.
 Data: <p   &#188;           > 70 0C 19 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BC0E190C70, 320 bytes long.
 Data: <Pf  &#188;   &#240;   &#188;   > 50 66 1A 0E BC 01 00 00 F0 03 1A 0E BC 01 00 00 
{277} normal block at 0x000001BC0E1A6E20, 16 bytes long.
 Data: <&#160;s  &#188;           > A0 73 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BC0E1A61A0, 16 bytes long.
 Data: <xs  &#188;           > 78 73 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001BC0E1A01B0, 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 0x000001BC0E1A6A60, 16 bytes long.
 Data: <Ps  &#188;           > 50 73 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001BC0E1A0CF0, 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 0x000001BC0E1A67E0, 16 bytes long.
 Data: < r  &#188;           > 98 72 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BC0E1A6BF0, 16 bytes long.
 Data: <pr  &#188;           > 70 72 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001BC0E1A6790, 16 bytes long.
 Data: <Hr  &#188;           > 48 72 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BC0E1A6F60, 16 bytes long.
 Data: < r  &#188;           > 20 72 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001BC0E1A6DD0, 16 bytes long.
 Data: <&#248;q  &#188;           > F8 71 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BC0E1A6C40, 16 bytes long.
 Data: <&#208;q  &#188;           > D0 71 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BC0E1A6FB0, 16 bytes long.
 Data: <&#208;Z  &#188;           > D0 5A 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BC0E1A5AD0, 40 bytes long.
 Data: <&#176;o  &#188;   &#240;Y  &#188;   > B0 6F 1A 0E BC 01 00 00 F0 59 1A 0E BC 01 00 00 
{263} normal block at 0x000001BC0E1A6330, 16 bytes long.
 Data: <&#176;q  &#188;           > B0 71 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001BC0E1A6F10, 16 bytes long.
 Data: < q  &#188;           > 88 71 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BC0E1A0750, 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 0x000001BC0E1A65B0, 16 bytes long.
 Data: <`q  &#188;           > 60 71 1A 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001BC0E1A7160, 992 bytes long.
 Data: <&#176;e  &#188;   P   &#188;   > B0 65 1A 0E BC 01 00 00 50 07 1A 0E BC 01 00 00 
{95} normal block at 0x000001BC0E1A02D0, 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 0x000001BC0E19B480, 16 bytes long.
 Data: <&#224;	  &#188;           > E0 09 19 0E BC 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001BC0E1909E0, 40 bytes long.
 Data: < &#180;  &#188;   &#208;   &#188;   > 80 B4 19 0E BC 01 00 00 D0 02 1A 0E BC 01 00 00 
{72} normal block at 0x000001BC0E19AE40, 16 bytes long.
 Data: < &#234;/8&#247;           > 80 EA 2F 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001BC0E19BB60, 16 bytes long.
 Data: <@&#233;/8&#247;           > 40 E9 2F 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001BC0E19AF80, 16 bytes long.
 Data: <&#248;W,8&#247;           > F8 57 2C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001BC0E19BB10, 16 bytes long.
 Data: <&#216;W,8&#247;           > D8 57 2C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001BC0E19B020, 16 bytes long.
 Data: <P ,8&#247;           > 50 04 2C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BC0E19B890, 16 bytes long.
 Data: <0 ,8&#247;           > 30 04 2C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BC0E19BD40, 16 bytes long.
 Data: <&#224; ,8&#247;           > E0 02 2C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BC0E19B2F0, 16 bytes long.
 Data: <  ,8&#247;           > 10 04 2C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BC0E19ADF0, 16 bytes long.
 Data: <p ,8&#247;           > 70 04 2C 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BC0E19BBB0, 16 bytes long.
 Data: < &#192;*8&#247;           > 18 C0 2A 38 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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