Task 38638824

Name p38_3_A30_A33_r0_1-QUICO_ATM_OpenFF_NAGL_p38_3-3-6-RND5417_0
Workunit 31586534
Created 30 Apr 2026, 11:09:51 UTC
Sent 30 Apr 2026, 11:09:58 UTC
Report deadline 5 May 2026, 11:09:58 UTC
Received 30 Apr 2026, 20:38:31 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 608046
Run time 1 min 35 sec
CPU time 2 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 58,716.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 52.62 MB
Peak swap size 38.40 MB
Peak disk usage 1.57 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
K�ytt�j�rjestelm� ei voi suorittaa ohjelmaa (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
16:25:38 (93100): wrapper (7.9.26016): starting
16:25:38 (93100): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A30_A33_0.pdb
QB_A30_A33_0.xml
QB_A30_A33.inpcrd
QB_A30_A33_input.yaml
QB_A30_A33.pdb
QB_A30_A33.prmtop
QB_A30_A33_sys.xml
run.bat
run.sh
16:25:39 (93100): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:25:39 (93100): 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 0x000001AEEDCF3E50>: 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 0x000001AEEDCFC650>: 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 0x000001AEEDCFCF10>: 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 0x000001AEEDCFD7D0>: 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 0x000001AEEDCFE010>: 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 0x000001A7301E9550>: 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 0x000001A7301EA250>: 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 0x000001A7301EAB90>: 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 0x000001A7301EB7D0>: 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 0x000001A730200450>: 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\\10\\Scripts\\rbfe_production.exe': [Errno 2] No such file or directory
16:26:11 (93100): C:/Windows/system32/cmd.exe exited; CPU time 2.437500
16:26:11 (93100): app exit status: 0x16
16:26:11 (93100): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 1312833 bytes.
Dumping objects ->
{3835611} normal block at 0x000001D206AB0D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835600} normal block at 0x000001D206AB0F40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x000001D206AB07D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835578} normal block at 0x000001D206AB0BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x000001D206AB14F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835536} normal block at 0x000001D206BA6370, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835523} normal block at 0x000001D204FCE700, 8 bytes long.
 Data: <  7 &#210;   > 00 00 37 05 D2 01 00 00 
{3833977} normal block at 0x000001D204FCE430, 8 bytes long.
 Data: <&#208;&#223;&#251; &#210;   > D0 DF FB 04 D2 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001D204FC1D90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001D204FBF1D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000001D204FD6C50, 16 bytes long.
 Data: <&#200;v&#253; &#210;           > C8 76 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001D204FD6C00, 16 bytes long.
 Data: <&#160;v&#253; &#210;           > A0 76 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D204FD04B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000001D204FD6B60, 16 bytes long.
 Data: <xv&#253; &#210;           > 78 76 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D204FD6890, 16 bytes long.
 Data: <Pv&#253; &#210;           > 50 76 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D204FD69D0, 16 bytes long.
 Data: <(v&#253; &#210;           > 28 76 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D204FD6840, 16 bytes long.
 Data: < v&#253; &#210;           > 00 76 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D204FD2CF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000001D204FD6750, 16 bytes long.
 Data: <(	&#252; &#210;           > 28 09 FC 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D204FD0330, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000001D204FD66B0, 16 bytes long.
 Data: < 	&#252; &#210;           > 00 09 FC 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D204FD6520, 16 bytes long.
 Data: <&#216; &#252; &#210;           > D8 08 FC 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D204FD6AC0, 16 bytes long.
 Data: <&#176; &#252; &#210;           > B0 08 FC 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D204FD6480, 16 bytes long.
 Data: <  &#252; &#210;           > 88 08 FC 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D204FD6430, 16 bytes long.
 Data: <` &#252; &#210;           > 60 08 FC 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D204FD63E0, 16 bytes long.
 Data: <8 &#252; &#210;           > 38 08 FC 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D204FD03F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000001D204FD6660, 16 bytes long.
 Data: <  &#252; &#210;           > 10 08 FC 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D204FC0810, 320 bytes long.
 Data: <`f&#253; &#210;   &#240; &#253; &#210;   > 60 66 FD 04 D2 01 00 00 F0 03 FD 04 D2 01 00 00 
{284} normal block at 0x000001D204FD6E80, 16 bytes long.
 Data: <&#224;u&#253; &#210;           > E0 75 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D204FD7240, 16 bytes long.
 Data: <&#184;u&#253; &#210;           > B8 75 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D204FD06F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000001D204FD72E0, 16 bytes long.
 Data: < u&#253; &#210;           > 90 75 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D204FD07B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000001D204FD71F0, 16 bytes long.
 Data: <&#216;t&#253; &#210;           > D8 74 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D204FD6BB0, 16 bytes long.
 Data: <&#176;t&#253; &#210;           > B0 74 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D204FD68E0, 16 bytes long.
 Data: < t&#253; &#210;           > 88 74 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D204FD71A0, 16 bytes long.
 Data: <`t&#253; &#210;           > 60 74 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D204FD7290, 16 bytes long.
 Data: <8t&#253; &#210;           > 38 74 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D204FD6A70, 16 bytes long.
 Data: < t&#253; &#210;           > 10 74 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D204FD70B0, 16 bytes long.
 Data: < ,&#253; &#210;           > 80 2C FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D204FD2C80, 40 bytes long.
 Data: <&#176;p&#253; &#210;   pc&#186; &#210;   > B0 70 FD 04 D2 01 00 00 70 63 BA 06 D2 01 00 00 
{270} normal block at 0x000001D204FD7150, 16 bytes long.
 Data: <&#240;s&#253; &#210;           > F0 73 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D204FD67A0, 16 bytes long.
 Data: <&#200;s&#253; &#210;           > C8 73 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D204FCFFD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000001D204FD6980, 16 bytes long.
 Data: <&#160;s&#253; &#210;           > A0 73 FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D204FD73A0, 992 bytes long.
 Data: < i&#253; &#210;   &#208;&#255;&#252; &#210;   > 80 69 FD 04 D2 01 00 00 D0 FF FC 04 D2 01 00 00 
{102} normal block at 0x000001D204FCFD90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000001D204FCE660, 16 bytes long.
 Data: <@.&#253; &#210;           > 40 2E FD 04 D2 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001D204FD2E40, 40 bytes long.
 Data: <`&#230;&#252; &#210;    &#253;&#252; &#210;   > 60 E6 FC 04 D2 01 00 00 90 FD FC 04 D2 01 00 00 
{79} normal block at 0x000001D204FCDEE0, 16 bytes long.
 Data: < &#234;Gs&#247;           > 80 EA 47 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001D204FCDA30, 16 bytes long.
 Data: <@&#233;Gs&#247;           > 40 E9 47 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001D204FCDB20, 16 bytes long.
 Data: <&#248;WDs&#247;           > F8 57 44 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001D204FCD9E0, 16 bytes long.
 Data: <&#216;WDs&#247;           > D8 57 44 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001D204FCE3E0, 16 bytes long.
 Data: <P Ds&#247;           > 50 04 44 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D204FCE020, 16 bytes long.
 Data: <0 Ds&#247;           > 30 04 44 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D204FCE390, 16 bytes long.
 Data: <&#224; Ds&#247;           > E0 02 44 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D204FCDBC0, 16 bytes long.
 Data: <  Ds&#247;           > 10 04 44 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D204FCE340, 16 bytes long.
 Data: <p Ds&#247;           > 70 04 44 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D204FCE070, 16 bytes long.
 Data: < &#192;Bs&#247;           > 18 C0 42 73 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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