Task 38685516

Name test_44-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND9539_1
Workunit 31626967
Created 27 Oct 2026, 21:28:24 UTC
Sent 27 Oct 2026, 21:28:30 UTC
Report deadline 1 Nov 2026, 21:28:30 UTC
Received 27 Oct 2026, 23:02:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652820
Run time 42 min 18 sec
CPU time 37 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.33 MB
Peak swap size 12.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:20:46 (43540): wrapper (7.9.26016): starting
17:20:46 (43540): 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
17:20:47 (43540): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:20:48 (43540): 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\14\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\14\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
18:02:14 (43540): C:/Windows/system32/cmd.exe exited; CPU time 2256.703125
18:02:14 (43540): 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: 28729695 bytes.
Dumping objects ->
{3835570} normal block at 0x00000218893F1170, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835559} normal block at 0x00000218893F0F40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835548} normal block at 0x00000218893F0FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835537} normal block at 0x00000218893F0920, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835526} normal block at 0x00000218893F1100, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835495} normal block at 0x000002188949B4A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835484} normal block at 0x00000218894FCC00, 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) : {3835481} normal block at 0x0000021887756410, 8 bytes long.
 Data: <  r&#135;    > 00 00 72 87 18 02 00 00 
{3834692} normal block at 0x00000218894FCF70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x00000218877562D0, 8 bytes long.
 Data: < xX&#137;    > 00 78 58 89 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000021887760E70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002188774AA40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000021887762CC0, 16 bytes long.
 Data: <&#168;4v&#135;            > A8 34 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000218877623B0, 16 bytes long.
 Data: < 4v&#135;            > 80 34 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002188775D700, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000021887762BD0, 16 bytes long.
 Data: <X4v&#135;            > 58 34 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021887762130, 16 bytes long.
 Data: <04v&#135;            > 30 34 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021887762B80, 16 bytes long.
 Data: < 4v&#135;            > 08 34 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000218877621D0, 16 bytes long.
 Data: <&#224;3v&#135;            > E0 33 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002188775B6F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000021887762040, 16 bytes long.
 Data: <X&#186;t&#135;            > 58 BA 74 87 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002188775DEE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000021887762A40, 16 bytes long.
 Data: <0&#186;t&#135;            > 30 BA 74 87 18 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021887761F00, 16 bytes long.
 Data: < &#186;t&#135;            > 08 BA 74 87 18 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000218877629A0, 16 bytes long.
 Data: <&#224;&#185;t&#135;            > E0 B9 74 87 18 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021887762090, 16 bytes long.
 Data: <&#184;&#185;t&#135;            > B8 B9 74 87 18 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021887762950, 16 bytes long.
 Data: < &#185;t&#135;            > 90 B9 74 87 18 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021887762900, 16 bytes long.
 Data: <h&#185;t&#135;            > 68 B9 74 87 18 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002188775D760, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{272} normal block at 0x0000021887762860, 16 bytes long.
 Data: <@&#185;t&#135;            > 40 B9 74 87 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002188774B940, 320 bytes long.
 Data: <`(v&#135;    `&#215;u&#135;    > 60 28 76 87 18 02 00 00 60 D7 75 87 18 02 00 00 
{270} normal block at 0x0000021887762770, 16 bytes long.
 Data: <&#192;3v&#135;            > C0 33 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000218877624F0, 16 bytes long.
 Data: < 3v&#135;            > 98 33 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002188775DE80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000021887762AE0, 16 bytes long.
 Data: <p3v&#135;            > 70 33 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002188775DCA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x00000218877622C0, 16 bytes long.
 Data: <&#184;2v&#135;            > B8 32 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021887762720, 16 bytes long.
 Data: < 2v&#135;            > 90 32 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021887762810, 16 bytes long.
 Data: <h2v&#135;            > 68 32 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000218877626D0, 16 bytes long.
 Data: <@2v&#135;            > 40 32 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000218877620E0, 16 bytes long.
 Data: < 2v&#135;            > 18 32 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021887761FF0, 16 bytes long.
 Data: <&#240;1v&#135;            > F0 31 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000218877627C0, 16 bytes long.
 Data: <0&#181;u&#135;            > 30 B5 75 87 18 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002188775B530, 40 bytes long.
 Data: <&#192;'v&#135;    &#160;&#180;I&#137;    > C0 27 76 87 18 02 00 00 A0 B4 49 89 18 02 00 00 
{256} normal block at 0x0000021887761EB0, 16 bytes long.
 Data: <&#208;1v&#135;            > D0 31 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021887761FA0, 16 bytes long.
 Data: <&#168;1v&#135;            > A8 31 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002188775E120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000021887762590, 16 bytes long.
 Data: < 1v&#135;            > 80 31 76 87 18 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021887763180, 992 bytes long.
 Data: < %v&#135;     &#225;u&#135;    > 90 25 76 87 18 02 00 00 20 E1 75 87 18 02 00 00 
{88} normal block at 0x000002188775D640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000021887756C80, 16 bytes long.
 Data: <&#160;&#181;u&#135;            > A0 B5 75 87 18 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002188775B5A0, 40 bytes long.
 Data: < lu&#135;    @&#214;u&#135;    > 80 6C 75 87 18 02 00 00 40 D6 75 87 18 02 00 00 
{65} normal block at 0x0000021887756730, 16 bytes long.
 Data: < &#234;&#194;e&#247;           > 80 EA C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021887756EB0, 16 bytes long.
 Data: <@&#233;&#194;e&#247;           > 40 E9 C2 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021887756640, 16 bytes long.
 Data: <&#248;W&#191;e&#247;           > F8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021887756D20, 16 bytes long.
 Data: <&#216;W&#191;e&#247;           > D8 57 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021887756370, 16 bytes long.
 Data: <P &#191;e&#247;           > 50 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000218877569B0, 16 bytes long.
 Data: <0 &#191;e&#247;           > 30 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021887756A50, 16 bytes long.
 Data: <&#224; &#191;e&#247;           > E0 02 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021887756A00, 16 bytes long.
 Data: <  &#191;e&#247;           > 10 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021887756500, 16 bytes long.
 Data: <p &#191;e&#247;           > 70 04 BF 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000218877567D0, 16 bytes long.
 Data: < &#192;&#189;e&#247;           > 18 C0 BD 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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