Task 38681079

Name test_18-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND6570_0
Workunit 31622764
Created 27 Oct 2026, 2:33:24 UTC
Sent 27 Oct 2026, 2:33:30 UTC
Report deadline 1 Nov 2026, 2:33:30 UTC
Received 27 Oct 2026, 3:03:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 541192
Run time 28 min 51 sec
CPU time 25 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 52,227.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 749.48 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
03:36:28 (42504): wrapper (7.9.26016): starting
03:36:28 (42504): 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
03:36:30 (42504): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:36:30 (42504): 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 'J:\BOINC\data\slots\9\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 'J:\BOINC\data\slots\9\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: Exiting with failure status due to previous errors
04:03:21 (42504): C:/Windows/system32/cmd.exe exited; CPU time 1514.796875
04:03:21 (42504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 35815858 bytes.
Dumping objects ->
{3835586} normal block at 0x0000028BAC755F70, 48 bytes long.
 Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835575} normal block at 0x0000028BAE5B3900, 32 bytes long.
 Data: <HOME=J:\BOINC\da> 48 4F 4D 45 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835564} normal block at 0x0000028BAE5B2400, 32 bytes long.
 Data: <TMP=J:\BOINC\dat> 54 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835553} normal block at 0x0000028BAE5B39C0, 32 bytes long.
 Data: <TEMP=J:\BOINC\da> 54 45 4D 50 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835542} normal block at 0x0000028BAE5B25E0, 32 bytes long.
 Data: <TMPDIR=J:\BOINC\> 54 4D 50 44 49 52 3D 4A 3A 5C 42 4F 49 4E 43 5C 
{3835511} normal block at 0x0000028BAC755DB0, 48 bytes long.
 Data: <PATH=J:\BOINC\da> 50 41 54 48 3D 4A 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835500} normal block at 0x0000028BAE57F5B0, 85 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) : {3835497} normal block at 0x0000028BAC74BA30, 8 bytes long.
 Data: <  o&#172;&#139;   > 00 00 6F AC 8B 02 00 00 
{3834717} normal block at 0x0000028BAE57D990, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833991} normal block at 0x0000028BAC74B170, 8 bytes long.
 Data: <p&#235;8&#174;&#139;   > 70 EB 38 AE 8B 02 00 00 
..\zip\boinc_zip.cpp(122) : {327} normal block at 0x0000028BAC752A20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x0000028BAC746B30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{311} normal block at 0x0000028BAC757460, 16 bytes long.
 Data: <xzu&#172;&#139;           > 78 7A 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{310} normal block at 0x0000028BAC756E70, 16 bytes long.
 Data: <Pzu&#172;&#139;           > 50 7A 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000028BAC74F740, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{308} normal block at 0x0000028BAC756BF0, 16 bytes long.
 Data: <(zu&#172;&#139;           > 28 7A 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000028BAC757190, 16 bytes long.
 Data: < zu&#172;&#139;           > 00 7A 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000028BAC7568D0, 16 bytes long.
 Data: <&#216;yu&#172;&#139;           > D8 79 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000028BAC757140, 16 bytes long.
 Data: <&#176;yu&#172;&#139;           > B0 79 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000028BAC756280, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{303} normal block at 0x0000028BAC7570F0, 16 bytes long.
 Data: < &#254;s&#172;&#139;           > 08 FE 73 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000028BAC74F620, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{301} normal block at 0x0000028BAC756F60, 16 bytes long.
 Data: <&#224;&#253;s&#172;&#139;           > E0 FD 73 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000028BAC7576E0, 16 bytes long.
 Data: <&#184;&#253;s&#172;&#139;           > B8 FD 73 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028BAC756D30, 16 bytes long.
 Data: < &#253;s&#172;&#139;           > 90 FD 73 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028BAC756D80, 16 bytes long.
 Data: <h&#253;s&#172;&#139;           > 68 FD 73 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028BAC757000, 16 bytes long.
 Data: <@&#253;s&#172;&#139;           > 40 FD 73 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028BAC757050, 16 bytes long.
 Data: < &#253;s&#172;&#139;           > 18 FD 73 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028BAC74FE60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{293} normal block at 0x0000028BAC756BA0, 16 bytes long.
 Data: <&#240;&#252;s&#172;&#139;           > F0 FC 73 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028BAC73FCF0, 320 bytes long.
 Data: <&#160;ku&#172;&#139;   `&#254;t&#172;&#139;   > A0 6B 75 AC 8B 02 00 00 60 FE 74 AC 8B 02 00 00 
{291} normal block at 0x0000028BAC756F10, 16 bytes long.
 Data: < yu&#172;&#139;           > 90 79 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028BAC7573C0, 16 bytes long.
 Data: <hyu&#172;&#139;           > 68 79 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028BAC74F500, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{288} normal block at 0x0000028BAC7570A0, 16 bytes long.
 Data: <@yu&#172;&#139;           > 40 79 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028BAC74F560, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{286} normal block at 0x0000028BAC756AB0, 16 bytes long.
 Data: < xu&#172;&#139;           > 88 78 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028BAC756DD0, 16 bytes long.
 Data: <`xu&#172;&#139;           > 60 78 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028BAC756B50, 16 bytes long.
 Data: <8xu&#172;&#139;           > 38 78 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028BAC7567E0, 16 bytes long.
 Data: < xu&#172;&#139;           > 10 78 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028BAC756CE0, 16 bytes long.
 Data: <&#232;wu&#172;&#139;           > E8 77 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028BAC757500, 16 bytes long.
 Data: <&#192;wu&#172;&#139;           > C0 77 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028BAC757640, 16 bytes long.
 Data: <&#208;\u&#172;&#139;           > D0 5C 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028BAC755CD0, 40 bytes long.
 Data: <@vu&#172;&#139;   &#176;]u&#172;&#139;   > 40 76 75 AC 8B 02 00 00 B0 5D 75 AC 8B 02 00 00 
{277} normal block at 0x0000028BAC756B00, 16 bytes long.
 Data: <&#160;wu&#172;&#139;           > A0 77 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028BAC757410, 16 bytes long.
 Data: <xwu&#172;&#139;           > 78 77 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028BAC74FDA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{274} normal block at 0x0000028BAC756A60, 16 bytes long.
 Data: <Pwu&#172;&#139;           > 50 77 75 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028BAC757750, 992 bytes long.
 Data: <`ju&#172;&#139;   &#160;&#253;t&#172;&#139;   > 60 6A 75 AC 8B 02 00 00 A0 FD 74 AC 8B 02 00 00 
{109} normal block at 0x0000028BAC74F140, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{108} normal block at 0x0000028BAC74BE40, 16 bytes long.
 Data: < &#250;s&#172;&#139;           > 00 FA 73 AC 8B 02 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x0000028BAC73FA00, 40 bytes long.
 Data: <@&#190;t&#172;&#139;   @&#241;t&#172;&#139;   > 40 BE 74 AC 8B 02 00 00 40 F1 74 AC 8B 02 00 00 
{86} normal block at 0x0000028BAC74B260, 16 bytes long.
 Data: < &#234; &#161;&#247;           > 80 EA 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000028BAC74B940, 16 bytes long.
 Data: <@&#233; &#161;&#247;           > 40 E9 8D A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000028BAC74BA80, 16 bytes long.
 Data: <&#248;W&#138;&#161;&#247;           > F8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000028BAC74B030, 16 bytes long.
 Data: <&#216;W&#138;&#161;&#247;           > D8 57 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000028BAC74BDA0, 16 bytes long.
 Data: <P &#138;&#161;&#247;           > 50 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000028BAC74B530, 16 bytes long.
 Data: <0 &#138;&#161;&#247;           > 30 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000028BAC74B3F0, 16 bytes long.
 Data: <&#224; &#138;&#161;&#247;           > E0 02 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000028BAC74B210, 16 bytes long.
 Data: <  &#138;&#161;&#247;           > 10 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000028BAC74BD50, 16 bytes long.
 Data: <p &#138;&#161;&#247;           > 70 04 8A A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000028BAC74BD00, 16 bytes long.
 Data: < &#192; &#161;&#247;           > 18 C0 88 A1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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