Task 38638421

Name tnks2_A09_A15_r0_1-QUICO_ATM_OpenFF23_NAGL_tnks2-1-6-RND3809_0
Workunit 31586221
Created 30 Apr 2026, 5:50:45 UTC
Sent 30 Apr 2026, 5:50:54 UTC
Report deadline 5 May 2026, 5:50:54 UTC
Received 30 Apr 2026, 5:54:53 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 645379
Run time 1 min 52 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 17,851.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 51.82 MB
Peak swap size 36.73 MB
Peak disk usage 1.47 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
07:52:20 (9352): wrapper (7.9.26016): starting
07:52:20 (9352): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A09_A15_0.pdb
QB_A09_A15_0.xml
QB_A09_A15.inpcrd
QB_A09_A15_input.yaml
QB_A09_A15.pdb
QB_A09_A15.prmtop
QB_A09_A15_sys.xml
run.bat
run.sh
07:52:21 (9352): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:52:22 (9352): 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 0x000001DDE93237D0>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /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 0x000001DDE9324210>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /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 0x000001DDE9324AD0>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /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 0x000001DDE9325490>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /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 0x000001DDE9325F10>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /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 0x000001A371FC0F90>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /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 0x000001A371FC1D50>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /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 0x000001A371FC2990>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /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 0x000001A371FC35D0>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /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 0x000001A371FE0190>: Failed to establish a new connection: [WinError 10013] Der Zugriff auf einen Socket war aufgrund der Zugriffsrechte des Sockets unzul&#228;ssig')': /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 'C:\\ProgramData\\BOINC\\slots\\0\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
07:52:52 (9352): C:/Windows/system32/cmd.exe exited; CPU time 1.640625
07:52:52 (9352): app exit status: 0x16
07:52:52 (9352): called boinc_finish(195)
0 bytes in 0 Free Blocks.
460 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: 732203 bytes.
Dumping objects ->
{3835521} normal block at 0x0000018021978F70, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835510} normal block at 0x0000018021978DB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835499} normal block at 0x0000018021978D40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835488} normal block at 0x0000018021978C60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835477} normal block at 0x0000018021953E40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835446} normal block at 0x0000018023639EE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x000001802364DB50, 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) : {3835432} normal block at 0x000001802194DAB0, 8 bytes long.
 Data: <  &#209;!    > 00 00 D1 21 80 01 00 00 
{3834691} normal block at 0x000001802364D9F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x000001802194D600, 8 bytes long.
 Data: <&#176;&#216;&#147;!    > B0 D8 93 21 80 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000018021941060, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000018021942450, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000018021954820, 16 bytes long.
 Data: <&#216;X&#149;!            > D8 58 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000180219548C0, 16 bytes long.
 Data: <&#176;X&#149;!            > B0 58 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018021950150, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000018021954DC0, 16 bytes long.
 Data: < X&#149;!            > 88 58 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018021954D70, 16 bytes long.
 Data: <`X&#149;!            > 60 58 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018021954CD0, 16 bytes long.
 Data: <8X&#149;!            > 38 58 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018021955540, 16 bytes long.
 Data: < X&#149;!            > 10 58 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018021953AC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000018021955130, 16 bytes long.
 Data: <&#232; &#148;!            > E8 08 94 21 80 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018021950210, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000018021955310, 16 bytes long.
 Data: <&#192; &#148;!            > C0 08 94 21 80 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018021954AA0, 16 bytes long.
 Data: <  &#148;!            > 98 08 94 21 80 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000180219551D0, 16 bytes long.
 Data: <p &#148;!            > 70 08 94 21 80 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018021954D20, 16 bytes long.
 Data: <H &#148;!            > 48 08 94 21 80 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018021954910, 16 bytes long.
 Data: <  &#148;!            > 20 08 94 21 80 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018021954C30, 16 bytes long.
 Data: <&#248; &#148;!            > F8 07 94 21 80 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001802194FB50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{282} normal block at 0x00000180219554A0, 16 bytes long.
 Data: <&#208; &#148;!            > D0 07 94 21 80 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000180219407D0, 320 bytes long.
 Data: <&#160;T&#149;!    P&#251;&#148;!    > A0 54 95 21 80 01 00 00 50 FB 94 21 80 01 00 00 
{280} normal block at 0x0000018021954BE0, 16 bytes long.
 Data: <&#240;W&#149;!            > F0 57 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000180219550E0, 16 bytes long.
 Data: <&#200;W&#149;!            > C8 57 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001802194F850, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000018021955400, 16 bytes long.
 Data: <&#160;W&#149;!            > A0 57 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001802194F4F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000018021954F50, 16 bytes long.
 Data: <&#232;V&#149;!            > E8 56 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018021955220, 16 bytes long.
 Data: <&#192;V&#149;!            > C0 56 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018021954640, 16 bytes long.
 Data: < V&#149;!            > 98 56 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000180219547D0, 16 bytes long.
 Data: <pV&#149;!            > 70 56 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018021954960, 16 bytes long.
 Data: <HV&#149;!            > 48 56 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018021954B40, 16 bytes long.
 Data: < V&#149;!            > 20 56 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018021955270, 16 bytes long.
 Data: < ?&#149;!            > 90 3F 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018021953F90, 40 bytes long.
 Data: <pR&#149;!    &#224;&#158;c#    > 70 52 95 21 80 01 00 00 E0 9E 63 23 80 01 00 00 
{266} normal block at 0x0000018021955040, 16 bytes long.
 Data: < V&#149;!            > 00 56 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018021955360, 16 bytes long.
 Data: <&#216;U&#149;!            > D8 55 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001802194F490, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000018021954870, 16 bytes long.
 Data: <&#176;U&#149;!            > B0 55 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000180219555B0, 992 bytes long.
 Data: <pH&#149;!     &#244;&#148;!    > 70 48 95 21 80 01 00 00 90 F4 94 21 80 01 00 00 
{98} normal block at 0x0000018021950090, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x000001802194DA10, 16 bytes long.
 Data: <&#208;=&#149;!            > D0 3D 95 21 80 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000018021953DD0, 40 bytes long.
 Data: < &#218;&#148;!      &#149;!    > 10 DA 94 21 80 01 00 00 90 00 95 21 80 01 00 00 
{75} normal block at 0x000001802194D1F0, 16 bytes long.
 Data: < &#234; &#223;&#246;           > 80 EA 0D DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001802194D4C0, 16 bytes long.
 Data: <@&#233; &#223;&#246;           > 40 E9 0D DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001802194D1A0, 16 bytes long.
 Data: <&#248;W &#223;&#246;           > F8 57 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001802194DA60, 16 bytes long.
 Data: <&#216;W &#223;&#246;           > D8 57 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001802194D7E0, 16 bytes long.
 Data: <P  &#223;&#246;           > 50 04 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001802194D970, 16 bytes long.
 Data: <0  &#223;&#246;           > 30 04 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001802194E0A0, 16 bytes long.
 Data: <&#224;  &#223;&#246;           > E0 02 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001802194D920, 16 bytes long.
 Data: <   &#223;&#246;           > 10 04 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001802194E0F0, 16 bytes long.
 Data: <p  &#223;&#246;           > 70 04 0A DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001802194DCE0, 16 bytes long.
 Data: < &#192; &#223;&#246;           > 18 C0 08 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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