Task 38672679

Name test_762-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND7027_0
Workunit 31614803
Created 26 Oct 2026, 0:08:18 UTC
Sent 26 Oct 2026, 0:08:29 UTC
Report deadline 31 Oct 2026, 0:08:29 UTC
Received 26 Oct 2026, 0:51:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 35 min 12 sec
CPU time 33 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.07 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:16:58 (12392): wrapper (7.9.26016): starting
20:16:58 (12392): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
20:16:59 (12392): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:16:59 (12392): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\4\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\4\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
20:51:25 (12392): C:/Windows/system32/cmd.exe exited; CPU time 2021.406250
20:51:25 (12392): called boinc_finish(0)
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: 30939067 bytes.
Dumping objects ->
{3835479} normal block at 0x000002D2FA344680, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000002D2FA3443E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000002D2FA344450, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x000002D2FA3444C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x000002D2FA344370, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x000002D2FC118630, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x000002D2FC12D770, 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) : {3835390} normal block at 0x000002D2FA340580, 8 bytes long.
 Data: <  &#133;&#250;&#210;   > 00 00 85 FA D2 02 00 00 
{3834663} normal block at 0x000002D2FC12E3D0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000002D2FA340670, 8 bytes long.
 Data: <P&#228; &#252;&#210;   > 50 E4 02 FC D2 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002D2FA32FC80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002D2FA337240, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000002D2FA345630, 16 bytes long.
 Data: <HO4&#250;&#210;           > 48 4F 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002D2FA3458B0, 16 bytes long.
 Data: < O4&#250;&#210;           > 20 4F 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002D2FA33F910, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000002D2FA3456D0, 16 bytes long.
 Data: <&#248;N4&#250;&#210;           > F8 4E 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002D2FA345EA0, 16 bytes long.
 Data: <&#208;N4&#250;&#210;           > D0 4E 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002D2FA345090, 16 bytes long.
 Data: <&#168;N4&#250;&#210;           > A8 4E 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002D2FA345FE0, 16 bytes long.
 Data: < N4&#250;&#210;           > 80 4E 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002D2FA344300, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000002D2FA345AE0, 16 bytes long.
 Data: <  3&#250;&#210;           > 88 00 33 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002D2FA33F790, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000002D2FA345540, 16 bytes long.
 Data: <` 3&#250;&#210;           > 60 00 33 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002D2FA3455E0, 16 bytes long.
 Data: <8 3&#250;&#210;           > 38 00 33 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002D2FA345860, 16 bytes long.
 Data: <  3&#250;&#210;           > 10 00 33 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002D2FA345F40, 16 bytes long.
 Data: <&#232;&#255;2&#250;&#210;           > E8 FF 32 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002D2FA345F90, 16 bytes long.
 Data: <&#192;&#255;2&#250;&#210;           > C0 FF 32 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002D2FA345D60, 16 bytes long.
 Data: < &#255;2&#250;&#210;           > 98 FF 32 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002D2FA33FA30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x000002D2FA345C20, 16 bytes long.
 Data: <p&#255;2&#250;&#210;           > 70 FF 32 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002D2FA32FF70, 320 bytes long.
 Data: < \4&#250;&#210;   0&#250;3&#250;&#210;   > 20 5C 34 FA D2 02 00 00 30 FA 33 FA D2 02 00 00 
{272} normal block at 0x000002D2FA345220, 16 bytes long.
 Data: <`N4&#250;&#210;           > 60 4E 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002D2FA345EF0, 16 bytes long.
 Data: <8N4&#250;&#210;           > 38 4E 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002D2FA33EF50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000002D2FA345900, 16 bytes long.
 Data: < N4&#250;&#210;           > 10 4E 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002D2FA33ED10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000002D2FA345C70, 16 bytes long.
 Data: <XM4&#250;&#210;           > 58 4D 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002D2FA345A40, 16 bytes long.
 Data: <0M4&#250;&#210;           > 30 4D 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002D2FA3454A0, 16 bytes long.
 Data: < M4&#250;&#210;           > 08 4D 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002D2FA345810, 16 bytes long.
 Data: <&#224;L4&#250;&#210;           > E0 4C 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002D2FA33FF90, 16 bytes long.
 Data: <&#184;L4&#250;&#210;           > B8 4C 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002D2FA340850, 16 bytes long.
 Data: < L4&#250;&#210;           > 90 4C 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002D2FA340350, 16 bytes long.
 Data: <`G4&#250;&#210;           > 60 47 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002D2FA344760, 40 bytes long.
 Data: <P 4&#250;&#210;   0&#134; &#252;&#210;   > 50 03 34 FA D2 02 00 00 30 86 11 FC D2 02 00 00 
{258} normal block at 0x000002D2FA33FEA0, 16 bytes long.
 Data: <pL4&#250;&#210;           > 70 4C 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002D2FA340AD0, 16 bytes long.
 Data: <HL4&#250;&#210;           > 48 4C 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002D2FA33F7F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000002D2FA340210, 16 bytes long.
 Data: < L4&#250;&#210;           > 20 4C 34 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002D2FA344C20, 992 bytes long.
 Data: <  4&#250;&#210;   &#240;&#247;3&#250;&#210;   > 10 02 34 FA D2 02 00 00 F0 F7 33 FA D2 02 00 00 
{90} normal block at 0x000002D2FA33F970, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000002D2FA340B20, 16 bytes long.
 Data: <&#192;&#237;2&#250;&#210;           > C0 ED 32 FA D2 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002D2FA32EDC0, 40 bytes long.
 Data: <  4&#250;&#210;   p&#249;3&#250;&#210;   > 20 0B 34 FA D2 02 00 00 70 F9 33 FA D2 02 00 00 
{67} normal block at 0x000002D2FA340490, 16 bytes long.
 Data: < &#234;+&#214;&#247;           > 80 EA 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002D2FA340300, 16 bytes long.
 Data: <@&#233;+&#214;&#247;           > 40 E9 2B D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002D2FA340BC0, 16 bytes long.
 Data: <&#248;W(&#214;&#247;           > F8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002D2FA3403A0, 16 bytes long.
 Data: <&#216;W(&#214;&#247;           > D8 57 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002D2FA3403F0, 16 bytes long.
 Data: <P (&#214;&#247;           > 50 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002D2FA340170, 16 bytes long.
 Data: <0 (&#214;&#247;           > 30 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002D2FA3408F0, 16 bytes long.
 Data: <&#224; (&#214;&#247;           > E0 02 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002D2FA340990, 16 bytes long.
 Data: <  (&#214;&#247;           > 10 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002D2FA3401C0, 16 bytes long.
 Data: <p (&#214;&#247;           > 70 04 28 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002D2FA340800, 16 bytes long.
 Data: < &#192;&&#214;&#247;           > 18 C0 26 D6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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