Task 38629659

Name JNK1_RE_A21_A05_r0_4-QUICO_ATM_GAFF2_NAGL_JNK1_RE-1-6-RND3279_0
Workunit 31579092
Created 25 Apr 2026, 6:17:11 UTC
Sent 25 Apr 2026, 6:17:14 UTC
Report deadline 30 Apr 2026, 6:17:14 UTC
Received 25 Apr 2026, 6:20:44 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 6 sec
CPU time
Validate state Invalid
Credit 0.00
Device peak FLOPS 17,849.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 52.12 MB
Peak swap size 37.20 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>
08:18:43 (35224): wrapper (7.9.26016): starting
08:18:43 (35224): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A21_A05_0.pdb
QB_A21_A05_0.xml
QB_A21_A05.inpcrd
QB_A21_A05_input.yaml
QB_A21_A05.pdb
QB_A21_A05.prmtop
QB_A21_A05_sys.xml
run.bat
run.sh
08:18:44 (35224): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:18:44 (35224): 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 0x0000027F223DBA10>: 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 0x0000027F223E4810>: 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 0x0000027F223E4E50>: 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 0x0000027F223E5810>: 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 0x0000027F223E6250>: 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 0x000001CC56990F10>: 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 0x000001CC56991D10>: 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 0x000001CC56992950>: 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 0x000001CC56993590>: 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 0x000001CC569B0110>: 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
08:19:10 (35224): C:/Windows/system32/cmd.exe exited; CPU time 0.812500
08:19:10 (35224): app exit status: 0x16
08:19:10 (35224): 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: 661667 bytes.
Dumping objects ->
{3835518} normal block at 0x0000018BC535A2F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x0000018BC53596B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835496} normal block at 0x0000018BC5359560, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835485} normal block at 0x0000018BC5359F70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835474} normal block at 0x0000018BC5333EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835443} normal block at 0x0000018BC720A3E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835432} normal block at 0x0000018BC721DD60, 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) : {3835429} normal block at 0x0000018BC532DAC0, 8 bytes long.
 Data: <   &#197;&#139;   > 00 00 8D C5 8B 01 00 00 
{3834688} normal block at 0x0000018BC721D470, 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 0x0000018BC532D5C0, 8 bytes long.
 Data: <0&#235; &#199;&#139;   > 30 EB 02 C7 8B 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000018BC5320A30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000018BC53224F0, 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 0x0000018BC53349C0, 16 bytes long.
 Data: <&#232;X3&#197;&#139;           > E8 58 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000018BC53348D0, 16 bytes long.
 Data: <&#192;X3&#197;&#139;           > C0 58 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018BC532FC20, 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 0x0000018BC53354B0, 16 bytes long.
 Data: < X3&#197;&#139;           > 98 58 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000018BC5334B50, 16 bytes long.
 Data: <pX3&#197;&#139;           > 70 58 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018BC5335460, 16 bytes long.
 Data: <HX3&#197;&#139;           > 48 58 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000018BC5334880, 16 bytes long.
 Data: < X3&#197;&#139;           > 20 58 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018BC53339F0, 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 0x0000018BC5334B00, 16 bytes long.
 Data: <&#248; 2&#197;&#139;           > F8 08 32 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018BC532F500, 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 0x0000018BC5335370, 16 bytes long.
 Data: <&#208; 2&#197;&#139;           > D0 08 32 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018BC5334FB0, 16 bytes long.
 Data: <&#168; 2&#197;&#139;           > A8 08 32 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018BC5334F60, 16 bytes long.
 Data: <  2&#197;&#139;           > 80 08 32 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018BC5334830, 16 bytes long.
 Data: <X 2&#197;&#139;           > 58 08 32 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018BC5334F10, 16 bytes long.
 Data: <0 2&#197;&#139;           > 30 08 32 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018BC5335550, 16 bytes long.
 Data: <  2&#197;&#139;           > 08 08 32 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018BC53303A0, 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 0x0000018BC5334650, 16 bytes long.
 Data: <&#224; 2&#197;&#139;           > E0 07 32 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018BC53207E0, 320 bytes long.
 Data: <PF3&#197;&#139;   &#160; 3&#197;&#139;   > 50 46 33 C5 8B 01 00 00 A0 03 33 C5 8B 01 00 00 
{280} normal block at 0x0000018BC53350A0, 16 bytes long.
 Data: < X3&#197;&#139;           > 00 58 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000018BC5334740, 16 bytes long.
 Data: <&#216;W3&#197;&#139;           > D8 57 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000018BC532FF80, 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 0x0000018BC5334EC0, 16 bytes long.
 Data: <&#176;W3&#197;&#139;           > B0 57 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018BC532F740, 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 0x0000018BC5335410, 16 bytes long.
 Data: <&#248;V3&#197;&#139;           > F8 56 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018BC53346F0, 16 bytes long.
 Data: <&#208;V3&#197;&#139;           > D0 56 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018BC53346A0, 16 bytes long.
 Data: <&#168;V3&#197;&#139;           > A8 56 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018BC53353C0, 16 bytes long.
 Data: < V3&#197;&#139;           > 80 56 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018BC5335050, 16 bytes long.
 Data: <XV3&#197;&#139;           > 58 56 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018BC5334A60, 16 bytes long.
 Data: <0V3&#197;&#139;           > 30 56 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018BC5335500, 16 bytes long.
 Data: <p=3&#197;&#139;           > 70 3D 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018BC5333D70, 40 bytes long.
 Data: < U3&#197;&#139;   &#224;&#163; &#199;&#139;   > 00 55 33 C5 8B 01 00 00 E0 A3 20 C7 8B 01 00 00 
{266} normal block at 0x0000018BC5335230, 16 bytes long.
 Data: < V3&#197;&#139;           > 10 56 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018BC5335000, 16 bytes long.
 Data: <&#232;U3&#197;&#139;           > E8 55 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018BC532FCE0, 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 0x0000018BC53347E0, 16 bytes long.
 Data: <&#192;U3&#197;&#139;           > C0 55 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018BC53355C0, 992 bytes long.
 Data: <&#224;G3&#197;&#139;   &#224;&#252;2&#197;&#139;   > E0 47 33 C5 8B 01 00 00 E0 FC 32 C5 8B 01 00 00 
{98} normal block at 0x0000018BC532F9E0, 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 0x0000018BC532D750, 16 bytes long.
 Data: <&#208;:3&#197;&#139;           > D0 3A 33 C5 8B 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000018BC5333AD0, 40 bytes long.
 Data: <P&#215;2&#197;&#139;   &#224;&#249;2&#197;&#139;   > 50 D7 32 C5 8B 01 00 00 E0 F9 32 C5 8B 01 00 00 
{75} normal block at 0x0000018BC532DA20, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 06 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000018BC532DC50, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 06 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000018BC532D9D0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 03 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000018BC532DA70, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 03 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000018BC532D4D0, 16 bytes long.
 Data: <P   &#247;           > 50 04 03 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000018BC532D480, 16 bytes long.
 Data: <0   &#247;           > 30 04 03 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000018BC532DF20, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 03 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000018BC532D570, 16 bytes long.
 Data: <    &#247;           > 10 04 03 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000018BC532DFC0, 16 bytes long.
 Data: <p   &#247;           > 70 04 03 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000018BC532D7A0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 01 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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