Task 38603549

Name MCL1_A28_A25_r0_3-QUICO_ATM_GAFF2_NAGL_MCL1-5-6-RND0786_0
Workunit 31557803
Created 10 Apr 2026, 21:13:09 UTC
Sent 10 Apr 2026, 21:13:14 UTC
Report deadline 15 Apr 2026, 21:13:14 UTC
Received 10 Apr 2026, 21:17:48 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 8 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 17,851.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 51.72 MB
Peak swap size 36.56 MB
Peak disk usage 1.54 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>
23:16:15 (52328): wrapper (7.9.26016): starting
23:16:15 (52328): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A28_A25_0.pdb
QB_A28_A25_0.xml
QB_A28_A25.inpcrd
QB_A28_A25_input.yaml
QB_A28_A25.pdb
QB_A28_A25.prmtop
QB_A28_A25_sys.xml
run.bat
run.sh
23:16:16 (52328): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:16:16 (52328): 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 0x000001BC6713BA10>: 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 0x000001BC671447D0>: 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 0x000001BC67144E10>: 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 0x000001BC671457D0>: 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 0x000001BC67146210>: 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 0x0000023C88C20B10>: 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 0x0000023C88C21C10>: 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 0x0000023C88C22810>: 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 0x0000023C88C23490>: 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 0x0000023C88C23CD0>: 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\\3\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
23:16:41 (52328): C:/Windows/system32/cmd.exe exited; CPU time 1.046875
23:16:41 (52328): app exit status: 0x16
23:16:41 (52328): 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: 845683 bytes.
Dumping objects ->
{3835515} normal block at 0x00000185764415D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835504} normal block at 0x0000018576440BC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835493} normal block at 0x0000018576440920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835482} normal block at 0x0000018576440CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835471} normal block at 0x0000018576441090, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835440} normal block at 0x0000018576539C10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x00000185765513A0, 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) : {3835426} normal block at 0x000001857480D950, 8 bytes long.
 Data: <  &#193;t&#133;   > 00 00 C1 74 85 01 00 00 
{3834686} normal block at 0x0000018576550D70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000001857480E170, 8 bytes long.
 Data: <P&#235;&#142;t&#133;   > 50 EB 8E 74 85 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000018574805F80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000018574804C00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000018574819C60, 16 bytes long.
 Data: < ? t&#133;           > 88 3F 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000018574819300, 16 bytes long.
 Data: <`? t&#133;           > 60 3F 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018574815690, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000018574819A30, 16 bytes long.
 Data: <8? t&#133;           > 38 3F 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018574819990, 16 bytes long.
 Data: < ? t&#133;           > 10 3F 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000185748192B0, 16 bytes long.
 Data: <&#232;> t&#133;           > E8 3E 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000018574819D00, 16 bytes long.
 Data: <&#192;> t&#133;           > C0 3E 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018574813900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000018574819AD0, 16 bytes long.
 Data: <X&#234; t&#133;           > 58 EA 7F 74 85 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000185748148B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000018574819940, 16 bytes long.
 Data: <0&#234; t&#133;           > 30 EA 7F 74 85 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018574819580, 16 bytes long.
 Data: < &#234; t&#133;           > 08 EA 7F 74 85 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000018574818E50, 16 bytes long.
 Data: <&#224;&#233; t&#133;           > E0 E9 7F 74 85 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018574819260, 16 bytes long.
 Data: <&#184;&#233; t&#133;           > B8 E9 7F 74 85 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018574819C10, 16 bytes long.
 Data: < &#233; t&#133;           > 90 E9 7F 74 85 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018574819620, 16 bytes long.
 Data: <h&#233; t&#133;           > 68 E9 7F 74 85 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000185748155D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x00000185748198F0, 16 bytes long.
 Data: <@&#233; t&#133;           > 40 E9 7F 74 85 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000185747FE940, 320 bytes long.
 Data: <&#240;  t&#133;   &#208;U t&#133;   > F0 98 81 74 85 01 00 00 D0 55 81 74 85 01 00 00 
{279} normal block at 0x0000018574819210, 16 bytes long.
 Data: <&#160;> t&#133;           > A0 3E 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000185748191C0, 16 bytes long.
 Data: <x> t&#133;           > 78 3E 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018574814BB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000018574819670, 16 bytes long.
 Data: <P> t&#133;           > 50 3E 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018574815450, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000018574819170, 16 bytes long.
 Data: < = t&#133;           > 98 3D 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000185748198A0, 16 bytes long.
 Data: <p= t&#133;           > 70 3D 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018574818E00, 16 bytes long.
 Data: <H= t&#133;           > 48 3D 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000018574819350, 16 bytes long.
 Data: < = t&#133;           > 20 3D 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000185748197B0, 16 bytes long.
 Data: <&#248;< t&#133;           > F8 3C 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000185748194E0, 16 bytes long.
 Data: <&#208;< t&#133;           > D0 3C 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018574819490, 16 bytes long.
 Data: <&#192;: t&#133;           > C0 3A 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018574813AC0, 40 bytes long.
 Data: < &#148; t&#133;    &#156;Sv&#133;   > 90 94 81 74 85 01 00 00 10 9C 53 76 85 01 00 00 
{265} normal block at 0x0000018574819120, 16 bytes long.
 Data: <&#176;< t&#133;           > B0 3C 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000018574819760, 16 bytes long.
 Data: < < t&#133;           > 88 3C 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000185748149D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x00000185748190D0, 16 bytes long.
 Data: <`< t&#133;           > 60 3C 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018574813C60, 992 bytes long.
 Data: <&#208;  t&#133;   &#208;I t&#133;   > D0 90 81 74 85 01 00 00 D0 49 81 74 85 01 00 00 
{97} normal block at 0x0000018574815630, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001857480E030, 16 bytes long.
 Data: < 8 t&#133;           > 20 38 81 74 85 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000018574813820, 40 bytes long.
 Data: <0&#224; t&#133;   0V t&#133;   > 30 E0 80 74 85 01 00 00 30 56 81 74 85 01 00 00 
{74} normal block at 0x000001857480D860, 16 bytes long.
 Data: < &#234;&#237;E&#246;           > 80 EA ED 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001857480D6D0, 16 bytes long.
 Data: <@&#233;&#237;E&#246;           > 40 E9 ED 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001857480E210, 16 bytes long.
 Data: <&#248;W&#234;E&#246;           > F8 57 EA 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001857480DF40, 16 bytes long.
 Data: <&#216;W&#234;E&#246;           > D8 57 EA 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001857480DF90, 16 bytes long.
 Data: <P &#234;E&#246;           > 50 04 EA 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001857480DEA0, 16 bytes long.
 Data: <0 &#234;E&#246;           > 30 04 EA 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001857480D810, 16 bytes long.
 Data: <&#224; &#234;E&#246;           > E0 02 EA 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001857480DEF0, 16 bytes long.
 Data: <  &#234;E&#246;           > 10 04 EA 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001857480E3A0, 16 bytes long.
 Data: <p &#234;E&#246;           > 70 04 EA 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001857480E350, 16 bytes long.
 Data: < &#192;&#232;E&#246;           > 18 C0 E8 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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