Task 38611279

Name p38_A19_A31_r0_3-QUICO_ATM_OpenFF_p38-3-6-RND8812_1
Workunit 31563950
Created 15 Apr 2026, 18:01:03 UTC
Sent 15 Apr 2026, 18:01:09 UTC
Report deadline 20 Apr 2026, 18:01:09 UTC
Received 16 Apr 2026, 16:29:04 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 651099
Run time 1 min 58 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 29,773.77 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 51.09 MB
Peak swap size 37.80 MB
Peak disk usage 1.57 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Das Betriebssystem kann (null) nicht ausf�hren.
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
18:24:53 (19756): wrapper (7.9.26016): starting
18:24:53 (19756): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A19_A31_0.pdb
QB_A19_A31_0.xml
QB_A19_A31.inpcrd
QB_A19_A31_input.yaml
QB_A19_A31.pdb
QB_A19_A31.prmtop
QB_A19_A31_sys.xml
run.bat
run.sh
18:24:54 (19756): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:24:54 (19756): 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 0x000002C40C62FC10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002C410414690>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002C410414C90>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002C410415550>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002C410415F90>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002942B921B10>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002942B922490>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002942B922E90>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002942B923A50>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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 0x000002942B93C690>: Failed to establish a new connection: [Errno 11001] getaddrinfo failed')': /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\\1\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
18:25:19 (19756): C:/Windows/system32/cmd.exe exited; CPU time 1.468750
18:25:19 (19756): app exit status: 0x16
18:25:19 (19756): 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: 477259 bytes.
Dumping objects ->
{3835470} normal block at 0x000001DFAAF99DD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x000001DFAAF9A2A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835448} normal block at 0x000001DFAAF9A070, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835437} normal block at 0x000001DFAAF9A700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835426} normal block at 0x000001DFA93D67A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835395} normal block at 0x000001DFAAFA61D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835384} normal block at 0x000001DFAAFBFCD0, 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) : {3835381} normal block at 0x000001DFA93CE610, 8 bytes long.
 Data: <  8&#169;&#223;   > 00 00 38 A9 DF 01 00 00 
{3834660} normal block at 0x000001DFAAFC0040, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001DFA93CD710, 8 bytes long.
 Data: <p&#233;J&#169;&#223;   > 70 E9 4A A9 DF 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001DFA93C1600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001DFA93C2A40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001DFA93D6AF0, 16 bytes long.
 Data: <&#232;|=&#169;&#223;           > E8 7C 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001DFA93D7180, 16 bytes long.
 Data: <&#192;|=&#169;&#223;           > C0 7C 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001DFA93D0780, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001DFA93D72C0, 16 bytes long.
 Data: < |=&#169;&#223;           > 98 7C 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001DFA93D7900, 16 bytes long.
 Data: <p|=&#169;&#223;           > 70 7C 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001DFA93D7720, 16 bytes long.
 Data: <H|=&#169;&#223;           > 48 7C 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DFA93D6D20, 16 bytes long.
 Data: < |=&#169;&#223;           > 20 7C 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001DFA93D6490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001DFA93D7590, 16 bytes long.
 Data: <H&#237;;&#169;&#223;           > 48 ED 3B A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DFA93D0480, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001DFA93D7950, 16 bytes long.
 Data: < &#237;;&#169;&#223;           > 20 ED 3B A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DFA93D7400, 16 bytes long.
 Data: <&#248;&#236;;&#169;&#223;           > F8 EC 3B A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DFA93D7130, 16 bytes long.
 Data: <&#208;&#236;;&#169;&#223;           > D0 EC 3B A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DFA93D70E0, 16 bytes long.
 Data: <&#168;&#236;;&#169;&#223;           > A8 EC 3B A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DFA93D76D0, 16 bytes long.
 Data: < &#236;;&#169;&#223;           > 80 EC 3B A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DFA93D6B90, 16 bytes long.
 Data: <X&#236;;&#169;&#223;           > 58 EC 3B A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DFA93CFBE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001DFA93D7360, 16 bytes long.
 Data: <0&#236;;&#169;&#223;           > 30 EC 3B A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DFA93BEC30, 320 bytes long.
 Data: <`s=&#169;&#223;   &#224;&#251;<&#169;&#223;   > 60 73 3D A9 DF 01 00 00 E0 FB 3C A9 DF 01 00 00 
{278} normal block at 0x000001DFA93D6AA0, 16 bytes long.
 Data: < |=&#169;&#223;           > 00 7C 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DFA93D78B0, 16 bytes long.
 Data: <&#216;{=&#169;&#223;           > D8 7B 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DFA93D05A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001DFA93D6CD0, 16 bytes long.
 Data: <&#176;{=&#169;&#223;           > B0 7B 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DFA93CFDC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001DFA93D7860, 16 bytes long.
 Data: <&#248;z=&#169;&#223;           > F8 7A 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DFA93D7680, 16 bytes long.
 Data: <&#208;z=&#169;&#223;           > D0 7A 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DFA93D7540, 16 bytes long.
 Data: <&#168;z=&#169;&#223;           > A8 7A 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DFA93D6C30, 16 bytes long.
 Data: < z=&#169;&#223;           > 80 7A 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DFA93D7810, 16 bytes long.
 Data: <Xz=&#169;&#223;           > 58 7A 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001DFA93D73B0, 16 bytes long.
 Data: <0z=&#169;&#223;           > 30 7A 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DFA93D7090, 16 bytes long.
 Data: < e=&#169;&#223;           > 00 65 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DFA93D6500, 40 bytes long.
 Data: < p=&#169;&#223;   &#208;a&#250;&#170;&#223;   > 90 70 3D A9 DF 01 00 00 D0 61 FA AA DF 01 00 00 
{264} normal block at 0x000001DFA93D7270, 16 bytes long.
 Data: < z=&#169;&#223;           > 10 7A 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DFA93D6A00, 16 bytes long.
 Data: <&#232;y=&#169;&#223;           > E8 79 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DFA93CFAC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001DFA93D6E60, 16 bytes long.
 Data: <&#192;y=&#169;&#223;           > C0 79 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DFA93D79C0, 992 bytes long.
 Data: <`n=&#169;&#223;   &#192;&#250;<&#169;&#223;   > 60 6E 3D A9 DF 01 00 00 C0 FA 3C A9 DF 01 00 00 
{96} normal block at 0x000001DFA93D0300, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001DFA93CDBC0, 16 bytes long.
 Data: <Pf=&#169;&#223;           > 50 66 3D A9 DF 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001DFA93D6650, 40 bytes long.
 Data: <&#192;&#219;<&#169;&#223;     =&#169;&#223;   > C0 DB 3C A9 DF 01 00 00 00 03 3D A9 DF 01 00 00 
{73} normal block at 0x000001DFA93CE0C0, 16 bytes long.
 Data: < &#234;&#217;&#130;&#246;           > 80 EA D9 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001DFA93CDB20, 16 bytes long.
 Data: <@&#233;&#217;&#130;&#246;           > 40 E9 D9 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001DFA93CDA30, 16 bytes long.
 Data: <&#248;W&#214;&#130;&#246;           > F8 57 D6 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001DFA93CDD00, 16 bytes long.
 Data: <&#216;W&#214;&#130;&#246;           > D8 57 D6 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001DFA93CDAD0, 16 bytes long.
 Data: <P &#214;&#130;&#246;           > 50 04 D6 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001DFA93CE070, 16 bytes long.
 Data: <0 &#214;&#130;&#246;           > 30 04 D6 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001DFA93CDFD0, 16 bytes long.
 Data: <&#224; &#214;&#130;&#246;           > E0 02 D6 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001DFA93CD7B0, 16 bytes long.
 Data: <  &#214;&#130;&#246;           > 10 04 D6 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DFA93CDA80, 16 bytes long.
 Data: <p &#214;&#130;&#246;           > 70 04 D6 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DFA93CDDF0, 16 bytes long.
 Data: < &#192;&#212;&#130;&#246;           > 18 C0 D4 82 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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