Task 38583271

Name PFKFB3_A09_A37_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-4-5-RND9083_0
Workunit 31547433
Created 14 Dec 2025, 0:07:24 UTC
Sent 14 Dec 2025, 0:07:28 UTC
Report deadline 19 Dec 2025, 0:07:28 UTC
Received 14 Dec 2025, 0:41:23 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 628655
Run time 1 min 24 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 7,400.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 53.77 MB
Peak swap size 38.90 MB
Peak disk usage 1.59 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<message>
(unknown error) - exit code 195 (0xc3)</message>
<stderr_txt>
04:37:53 (23356): wrapper (7.9.26016): starting
04:37:53 (23356): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A37_0.pdb
QB_A09_A37_0.xml
QB_A09_A37_equil.pdb
QB_A09_A37.inpcrd
QB_A09_A37_input.yaml
QB_A09_A37_mdlambda.pdb
QB_A09_A37_min.pdb
QB_A09_A37_npt.pdb
QB_A09_A37.pdb
QB_A09_A37.prmtop
QB_A09_A37_sys.xml
QB_A09_A37_therm.pdb
run.bat
run.sh
04:37:55 (23356): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:37:55 (23356): 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 0x0000021DAC4D3150>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x0000021DAC4D8B10>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x0000021DAC4D9510>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x0000021DAC4D9B50>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x0000021DAC4DA6D0>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002273491D450>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002273491E210>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002273491EE10>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002273491FA90>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 0x000002273492C5D0>: Failed to establish a new connection: [WinError 10013] An attempt was made to access a socket in a way forbidden by its access permissions')': /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 'K:\\1Crunch\\BOINC\\slots\\10\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
04:38:27 (23356): C:/Windows/system32/cmd.exe exited; CPU time 2.203125
04:38:27 (23356): app exit status: 0x16
04:38:27 (23356): called boinc_finish(195)
0 bytes in 0 Free Blocks.
396 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: 910235 bytes.
Dumping objects ->
{3835671} normal block at 0x0000017EC6FE3340, 48 bytes long.
 Data: <PATH=K:\1Crunch\> 50 41 54 48 3D 4B 3A 5C 31 43 72 75 6E 63 68 5C 
{3835660} normal block at 0x0000017EC6FA0600, 32 bytes long.
 Data: <HOME=K:\1Crunch\> 48 4F 4D 45 3D 4B 3A 5C 31 43 72 75 6E 63 68 5C 
{3835649} normal block at 0x0000017EC6FA0900, 32 bytes long.
 Data: <TMP=K:\1Crunch\B> 54 4D 50 3D 4B 3A 5C 31 43 72 75 6E 63 68 5C 42 
{3835638} normal block at 0x0000017EC6FA16E0, 32 bytes long.
 Data: <TEMP=K:\1Crunch\> 54 45 4D 50 3D 4B 3A 5C 31 43 72 75 6E 63 68 5C 
{3835627} normal block at 0x0000017EC51104C0, 48 bytes long.
 Data: <TMPDIR=K:\1Crunc> 54 4D 50 44 49 52 3D 4B 3A 5C 31 43 72 75 6E 63 
{3835596} normal block at 0x0000017EC5110450, 48 bytes long.
 Data: <PATH=K:\1Crunch\> 50 41 54 48 3D 4B 3A 5C 31 43 72 75 6E 63 68 5C 
{3835585} normal block at 0x0000017EC6F6E370, 102 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) : {3835582} normal block at 0x0000017EC510D8B0, 8 bytes long.
 Data: <  n&#197;~   > 00 00 6E C5 7E 01 00 00 
{3834744} normal block at 0x0000017EC6F6E0B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000017EC510D400, 8 bytes long.
 Data: <&#208; &#254;&#198;~   > D0 18 FE C6 7E 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000017EC5100770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017EC51022C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000017EC5115C50, 16 bytes long.
 Data: <&#216;e &#197;~           > D8 65 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017EC51154D0, 16 bytes long.
 Data: <&#176;e &#197;~           > B0 65 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017EC5110BE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000017EC5115FC0, 16 bytes long.
 Data: < e &#197;~           > 88 65 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017EC5115BB0, 16 bytes long.
 Data: <`e &#197;~           > 60 65 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017EC5115A20, 16 bytes long.
 Data: <8e &#197;~           > 38 65 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017EC5115480, 16 bytes long.
 Data: < e &#197;~           > 10 65 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017EC5110370, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000017EC5115840, 16 bytes long.
 Data: <8  &#197;~           > 38 06 10 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017EC5111540, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000017EC5115F70, 16 bytes long.
 Data: <   &#197;~           > 10 06 10 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017EC5115980, 16 bytes long.
 Data: <&#232;  &#197;~           > E8 05 10 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017EC51159D0, 16 bytes long.
 Data: <&#192;  &#197;~           > C0 05 10 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017EC5116010, 16 bytes long.
 Data: <   &#197;~           > 98 05 10 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017EC5115C00, 16 bytes long.
 Data: <p  &#197;~           > 70 05 10 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017EC5115430, 16 bytes long.
 Data: <H  &#197;~           > 48 05 10 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017EC5110D60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000017EC51153E0, 16 bytes long.
 Data: <   &#197;~           > 20 05 10 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017EC5100520, 320 bytes long.
 Data: <&#224;S &#197;~   `  &#197;~   > E0 53 11 C5 7E 01 00 00 60 0D 11 C5 7E 01 00 00 
{276} normal block at 0x0000017EC5115390, 16 bytes long.
 Data: <&#240;d &#197;~           > F0 64 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017EC5115930, 16 bytes long.
 Data: <&#200;d &#197;~           > C8 64 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017EC5110DC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000017EC5115E80, 16 bytes long.
 Data: <&#160;d &#197;~           > A0 64 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017EC5111780, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000017EC5115570, 16 bytes long.
 Data: <&#232;c &#197;~           > E8 63 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017EC51152F0, 16 bytes long.
 Data: <&#192;c &#197;~           > C0 63 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017EC5116060, 16 bytes long.
 Data: < c &#197;~           > 98 63 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017EC51161F0, 16 bytes long.
 Data: <pc &#197;~           > 70 63 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017EC5116240, 16 bytes long.
 Data: <Hc &#197;~           > 48 63 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017EC51161A0, 16 bytes long.
 Data: < c &#197;~           > 20 63 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017EC5116150, 16 bytes long.
 Data: <&#160;  &#197;~           > A0 05 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017EC51105A0, 40 bytes long.
 Data: <Pa &#197;~   P  &#197;~   > 50 61 11 C5 7E 01 00 00 50 04 11 C5 7E 01 00 00 
{262} normal block at 0x0000017EC5115E30, 16 bytes long.
 Data: < c &#197;~           > 00 63 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017EC51158E0, 16 bytes long.
 Data: <&#216;b &#197;~           > D8 62 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017EC5110A00, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000017EC5115F20, 16 bytes long.
 Data: <&#176;b &#197;~           > B0 62 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017EC51162B0, 992 bytes long.
 Data: < _ &#197;~      &#197;~   > 20 5F 11 C5 7E 01 00 00 00 0A 11 C5 7E 01 00 00 
{94} normal block at 0x0000017EC5110EE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000017EC510D130, 16 bytes long.
 Data: <   &#197;~           > 10 06 11 C5 7E 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000017EC5110610, 40 bytes long.
 Data: <0&#209; &#197;~   &#224;  &#197;~   > 30 D1 10 C5 7E 01 00 00 E0 0E 11 C5 7E 01 00 00 
{71} normal block at 0x0000017EC510D860, 16 bytes long.
 Data: < &#234;&#138;&#162;&#247;           > 80 EA 8A A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017EC510D180, 16 bytes long.
 Data: <@&#233;&#138;&#162;&#247;           > 40 E9 8A A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017EC510CFF0, 16 bytes long.
 Data: <&#248;W&#135;&#162;&#247;           > F8 57 87 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017EC510D810, 16 bytes long.
 Data: <&#216;W&#135;&#162;&#247;           > D8 57 87 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017EC510DE50, 16 bytes long.
 Data: <P &#135;&#162;&#247;           > 50 04 87 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017EC510D720, 16 bytes long.
 Data: <0 &#135;&#162;&#247;           > 30 04 87 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017EC510DE00, 16 bytes long.
 Data: <&#224; &#135;&#162;&#247;           > E0 02 87 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017EC510DDB0, 16 bytes long.
 Data: <  &#135;&#162;&#247;           > 10 04 87 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017EC510DBD0, 16 bytes long.
 Data: <p &#135;&#162;&#247;           > 70 04 87 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017EC510D5E0, 16 bytes long.
 Data: < &#192;&#133;&#162;&#247;           > 18 C0 85 A2 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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