Task 38649873

Name test_136-GPUGRID_TEST_ATM_4STEP_20261023-1-4-RND7783_1
Workunit 31594078
Created 23 Oct 2026, 22:16:18 UTC
Sent 23 Oct 2026, 22:34:08 UTC
Report deadline 28 Oct 2026, 22:34:08 UTC
Received 23 Oct 2026, 23:55:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618954
Run time 46 min 59 sec
CPU time 46 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 720.59 MB
Peak swap size 18.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.5</core_client_version>
<![CDATA[
<stderr_txt>
01:13:01 (14236): wrapper (7.9.26016): starting
01:13:01 (14236): 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
01:13:03 (14236): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:13:03 (14236): 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\163\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\163\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
01:54:49 (14236): C:/Windows/system32/cmd.exe exited; CPU time 2819.593750
01:54:49 (14236): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 68570267 bytes.
Dumping objects ->
{3835226} normal block at 0x0000020F5B96C7A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x0000020F5B96CDC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x0000020F5B96CC00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835193} normal block at 0x0000020F5B96C960, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835182} normal block at 0x0000020F5B96C490, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835151} normal block at 0x0000020F5D803600, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835140} normal block at 0x0000020F5B96EAA0, 140 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) : {3835137} normal block at 0x0000020F5B944D90, 8 bytes long.
 Data: <  &#137;[    > 00 00 89 5B 0F 02 00 00 
{3834534} normal block at 0x0000020F5B96E760, 140 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 0x0000020F5B944CF0, 8 bytes long.
 Data: <&#208;&#240;&#154;[    > D0 F0 9A 5B 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000020F5B948BE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020F5B92AAA0, 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 0x0000020F5B944700, 16 bytes long.
 Data: <&#184;&#159;&#148;[            > B8 9F 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020F5B944930, 16 bytes long.
 Data: < &#159;&#148;[            > 90 9F 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020F5B93B030, 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 0x0000020F5B945150, 16 bytes long.
 Data: <h&#159;&#148;[            > 68 9F 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020F5B944570, 16 bytes long.
 Data: <@&#159;&#148;[            > 40 9F 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020F5B945100, 16 bytes long.
 Data: < &#159;&#148;[            > 18 9F 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020F5B9446B0, 16 bytes long.
 Data: <&#240;&#158;&#148;[            > F0 9E 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020F5B942810, 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 0x0000020F5B944660, 16 bytes long.
 Data: <&#216;&#186;&#146;[            > D8 BA 92 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020F5B93AAF0, 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 0x0000020F5B945240, 16 bytes long.
 Data: <&#176;&#186;&#146;[            > B0 BA 92 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020F5B945010, 16 bytes long.
 Data: < &#186;&#146;[            > 88 BA 92 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020F5B944E30, 16 bytes long.
 Data: <`&#186;&#146;[            > 60 BA 92 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020F5B944DE0, 16 bytes long.
 Data: <8&#186;&#146;[            > 38 BA 92 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020F5B944520, 16 bytes long.
 Data: < &#186;&#146;[            > 10 BA 92 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020F5B944750, 16 bytes long.
 Data: <&#232;&#185;&#146;[            > E8 B9 92 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020F5B93AF70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000020F5B944480, 16 bytes long.
 Data: <&#192;&#185;&#146;[            > C0 B9 92 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020F5B92B9C0, 320 bytes long.
 Data: < D&#148;[    p&#175;&#147;[    > 80 44 94 5B 0F 02 00 00 70 AF 93 5B 0F 02 00 00 
{270} normal block at 0x0000020F5B944D40, 16 bytes long.
 Data: <&#208;&#158;&#148;[            > D0 9E 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020F5B9444D0, 16 bytes long.
 Data: <&#168;&#158;&#148;[            > A8 9E 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020F5B93B1B0, 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 0x0000020F5B9451F0, 16 bytes long.
 Data: < &#158;&#148;[            > 80 9E 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020F5B93B090, 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 0x0000020F5B944ED0, 16 bytes long.
 Data: <&#200; &#148;[            > C8 9D 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020F5B9453D0, 16 bytes long.
 Data: <&#160; &#148;[            > A0 9D 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020F5B944C00, 16 bytes long.
 Data: <x &#148;[            > 78 9D 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020F5B944B60, 16 bytes long.
 Data: <P &#148;[            > 50 9D 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020F5B944B10, 16 bytes long.
 Data: <( &#148;[            > 28 9D 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020F5B944AC0, 16 bytes long.
 Data: <  &#148;[            > 00 9D 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020F5B945330, 16 bytes long.
 Data: <@#&#148;[            > 40 23 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020F5B942340, 40 bytes long.
 Data: <0S&#148;[     6 ]    > 30 53 94 5B 0F 02 00 00 00 36 80 5D 0F 02 00 00 
{256} normal block at 0x0000020F5B944FC0, 16 bytes long.
 Data: <&#224;&#156;&#148;[            > E0 9C 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020F5B9449D0, 16 bytes long.
 Data: <&#184;&#156;&#148;[            > B8 9C 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020F5B93ACD0, 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 0x0000020F5B944BB0, 16 bytes long.
 Data: < &#156;&#148;[            > 90 9C 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000020F5B949C90, 992 bytes long.
 Data: <&#176;K&#148;[    &#208;&#172;&#147;[    > B0 4B 94 5B 0F 02 00 00 D0 AC 93 5B 0F 02 00 00 
{88} normal block at 0x0000020F5B93B450, 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 0x0000020F5B944E80, 16 bytes long.
 Data: <&#240;(&#148;[            > F0 28 94 5B 0F 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000020F5B9428F0, 40 bytes long.
 Data: < N&#148;[    P&#180;&#147;[    > 80 4E 94 5B 0F 02 00 00 50 B4 93 5B 0F 02 00 00 
{65} normal block at 0x0000020F5B939D00, 16 bytes long.
 Data: < &#234;SE&#246;           > 80 EA 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020F5B939C60, 16 bytes long.
 Data: <@&#233;SE&#246;           > 40 E9 53 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020F5B939CB0, 16 bytes long.
 Data: <&#248;WPE&#246;           > F8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020F5B939C10, 16 bytes long.
 Data: <&#216;WPE&#246;           > D8 57 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020F5B939A80, 16 bytes long.
 Data: <P PE&#246;           > 50 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020F5B939A30, 16 bytes long.
 Data: <0 PE&#246;           > 30 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020F5B939990, 16 bytes long.
 Data: <&#224; PE&#246;           > E0 02 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020F5B939940, 16 bytes long.
 Data: <  PE&#246;           > 10 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020F5B9399E0, 16 bytes long.
 Data: <p PE&#246;           > 70 04 50 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000020F5B939D50, 16 bytes long.
 Data: < &#192;NE&#246;           > 18 C0 4E 45 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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