Task 38665830

Name test_660-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND9848_0
Workunit 31608879
Created 25 Oct 2026, 1:37:58 UTC
Sent 25 Oct 2026, 1:49:16 UTC
Report deadline 30 Oct 2026, 1:49:16 UTC
Received 25 Oct 2026, 3:00:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 549972
Run time 56 min 16 sec
CPU time 51 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,466.33 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 636.30 MB
Peak swap size 5.24 GB
Peak disk usage 3.81 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:07:18 (6968): wrapper (7.9.26016): starting
19:07:18 (6968): 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
19:07:23 (6968): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:07:23 (6968): 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:\Test\BOINC\ProgramData\slots\5\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:\Test\BOINC\ProgramData\slots\5\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
19:59:57 (6968): C:/Windows/system32/cmd.exe exited; CPU time 3108.578125
19:59:57 (6968): called boinc_finish(0)
0 bytes in 0 Free Blocks.
592 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: 36672191 bytes.
Dumping objects ->
{3835225} normal block at 0x0000029103F3B8A0, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835214} normal block at 0x000002910244FA90, 48 bytes long.
 Data: <HOME=C:\Test\BOI> 48 4F 4D 45 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835203} normal block at 0x000002910244F8D0, 48 bytes long.
 Data: <TMP=C:\Test\BOIN> 54 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 4E 
{3835192} normal block at 0x000002910244F940, 48 bytes long.
 Data: <TEMP=C:\Test\BOI> 54 45 4D 50 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835181} normal block at 0x000002910244FB00, 48 bytes long.
 Data: <TMPDIR=C:\Test\B> 54 4D 50 44 49 52 3D 43 3A 5C 54 65 73 74 5C 42 
{3835150} normal block at 0x0000029103F3B5A0, 64 bytes long.
 Data: <PATH=C:\Test\BOI> 50 41 54 48 3D 43 3A 5C 54 65 73 74 5C 42 4F 49 
{3835139} normal block at 0x0000029104025580, 160 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) : {3835136} normal block at 0x00000291024472C0, 8 bytes long.
 Data: <  = &#145;   > 00 00 3D 02 91 02 00 00 
{3834541} normal block at 0x0000029104025900, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000291024468C0, 8 bytes long.
 Data: <`d  &#145;   > 60 64 02 04 91 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000291024502A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002910243AC00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000029102451D30, 16 bytes long.
 Data: <&#216;9E &#145;           > D8 39 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000291024514C0, 16 bytes long.
 Data: <&#176;9E &#145;           > B0 39 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002910244CBC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000029102451470, 16 bytes long.
 Data: < 9E &#145;           > 88 39 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029102451420, 16 bytes long.
 Data: <`9E &#145;           > 60 39 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000291024513D0, 16 bytes long.
 Data: <89E &#145;           > 38 39 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000029102451B50, 16 bytes long.
 Data: < 9E &#145;           > 10 39 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002910244FDA0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000029102451380, 16 bytes long.
 Data: < &#188;C &#145;           > 98 BC 43 02 91 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002910244D0A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000029102452190, 16 bytes long.
 Data: <p&#188;C &#145;           > 70 BC 43 02 91 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029102451920, 16 bytes long.
 Data: <H&#188;C &#145;           > 48 BC 43 02 91 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000291024520A0, 16 bytes long.
 Data: < &#188;C &#145;           > 20 BC 43 02 91 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029102451FB0, 16 bytes long.
 Data: <&#248;&#187;C &#145;           > F8 BB 43 02 91 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000029102451AB0, 16 bytes long.
 Data: <&#208;&#187;C &#145;           > D0 BB 43 02 91 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029102451A60, 16 bytes long.
 Data: <&#168;&#187;C &#145;           > A8 BB 43 02 91 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002910244D700, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000029102452000, 16 bytes long.
 Data: < &#187;C &#145;           > 80 BB 43 02 91 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002910243BB80, 320 bytes long.
 Data: <  E &#145;    &#215;D &#145;   > 00 20 45 02 91 02 00 00 00 D7 44 02 91 02 00 00 
{273} normal block at 0x0000029102451F60, 16 bytes long.
 Data: <&#240;8E &#145;           > F0 38 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029102451740, 16 bytes long.
 Data: <&#200;8E &#145;           > C8 38 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002910244C9E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000029102451A10, 16 bytes long.
 Data: <&#160;8E &#145;           > A0 38 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002910244D760, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000029102451C90, 16 bytes long.
 Data: <&#232;7E &#145;           > E8 37 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000029102451C40, 16 bytes long.
 Data: <&#192;7E &#145;           > C0 37 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029102451F10, 16 bytes long.
 Data: < 7E &#145;           > 98 37 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029102451600, 16 bytes long.
 Data: <p7E &#145;           > 70 37 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000029102452230, 16 bytes long.
 Data: <H7E &#145;           > 48 37 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029102451650, 16 bytes long.
 Data: < 7E &#145;           > 20 37 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000029102451790, 16 bytes long.
 Data: <0&#253;D &#145;           > 30 FD 44 02 91 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002910244FD30, 40 bytes long.
 Data: <  E &#145;   &#160;&#181;&#243; &#145;   > 90 17 45 02 91 02 00 00 A0 B5 F3 03 91 02 00 00 
{259} normal block at 0x0000029102451CE0, 16 bytes long.
 Data: < 7E &#145;           > 00 37 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000029102451E20, 16 bytes long.
 Data: <&#216;6E &#145;           > D8 36 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002910244C980, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000291024521E0, 16 bytes long.
 Data: <&#176;6E &#145;           > B0 36 45 02 91 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000291024536B0, 992 bytes long.
 Data: <&#224;!E &#145;    &#201;D &#145;   > E0 21 45 02 91 02 00 00 80 C9 44 02 91 02 00 00 
{91} normal block at 0x000002910244D400, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000029102447400, 16 bytes long.
 Data: <&#224;&#251;D &#145;           > E0 FB 44 02 91 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002910244FBE0, 40 bytes long.
 Data: < tD &#145;    &#212;D &#145;   > 00 74 44 02 91 02 00 00 00 D4 44 02 91 02 00 00 
{68} normal block at 0x0000029102447270, 16 bytes long.
 Data: < &#234;&#253;u&#247;           > 80 EA FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029102446EB0, 16 bytes long.
 Data: <@&#233;&#253;u&#247;           > 40 E9 FD 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029102446C80, 16 bytes long.
 Data: <&#248;W&#250;u&#247;           > F8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000291024465F0, 16 bytes long.
 Data: <&#216;W&#250;u&#247;           > D8 57 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029102446820, 16 bytes long.
 Data: <P &#250;u&#247;           > 50 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000029102447360, 16 bytes long.
 Data: <0 &#250;u&#247;           > 30 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000029102447090, 16 bytes long.
 Data: <&#224; &#250;u&#247;           > E0 02 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000291024469B0, 16 bytes long.
 Data: <  &#250;u&#247;           > 10 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000029102446CD0, 16 bytes long.
 Data: <p &#250;u&#247;           > 70 04 FA 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000029102446B40, 16 bytes long.
 Data: < &#192;&#248;u&#247;           > 18 C0 F8 75 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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