Task 38700012

Name test_551-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1057_0
Workunit 31640351
Created 6 Nov 2026, 13:32:58 UTC
Sent 6 Nov 2026, 13:33:04 UTC
Report deadline 11 Nov 2026, 13:33:04 UTC
Received 7 Nov 2026, 11:44:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 494513
Run time 31 min 42 sec
CPU time 29 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,490.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 716.95 MB
Peak swap size 6.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:12:43 (31620): wrapper (7.9.26016): starting
11:12:43 (31620): 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
11:12:45 (31620): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:12:45 (31620): 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\0\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\0\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
11:43:18 (31620): C:/Windows/system32/cmd.exe exited; CPU time 1760.984375
11:43:18 (31620): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 35191779 bytes.
Dumping objects ->
{3835286} normal block at 0x0000022037F33EC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000022037F33360, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x0000022037F33BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835253} normal block at 0x0000022037F34080, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000022037F33E50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835211} normal block at 0x0000022037FFA1E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835198} normal block at 0x000002203627F830, 8 bytes long.
 Data: <  r6    > 00 00 72 36 20 02 00 00 
{3833979} normal block at 0x000002203627EF20, 8 bytes long.
 Data: <`s(6    > 60 73 28 36 20 02 00 00 
..\zip\boinc_zip.cpp(122) : {321} normal block at 0x00000220362835C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000220362788B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{305} normal block at 0x00000220362884F0, 16 bytes long.
 Data: <&#232;&#140;(6            > E8 8C 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000022036288680, 16 bytes long.
 Data: <&#192;&#140;(6            > C0 8C 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000022036280AA0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{302} normal block at 0x00000220362880E0, 16 bytes long.
 Data: < &#140;(6            > 98 8C 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000022036288450, 16 bytes long.
 Data: <p&#140;(6            > 70 8C 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000022036288310, 16 bytes long.
 Data: <H&#140;(6            > 48 8C 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022036288130, 16 bytes long.
 Data: < &#140;(6            > 20 8C 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022036285E20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{297} normal block at 0x0000022036288770, 16 bytes long.
 Data: <&#216;&#172;'6            > D8 AC 27 36 20 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000220362805C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{295} normal block at 0x0000022036288220, 16 bytes long.
 Data: <&#176;&#172;'6            > B0 AC 27 36 20 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022036288090, 16 bytes long.
 Data: < &#172;'6            > 88 AC 27 36 20 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000220362888B0, 16 bytes long.
 Data: <`&#172;'6            > 60 AC 27 36 20 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022036287D20, 16 bytes long.
 Data: <8&#172;'6            > 38 AC 27 36 20 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022036288630, 16 bytes long.
 Data: < &#172;'6            > 10 AC 27 36 20 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022036288040, 16 bytes long.
 Data: <&#232;&#171;'6            > E8 AB 27 36 20 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022036280A40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{287} normal block at 0x00000220362881D0, 16 bytes long.
 Data: <&#192;&#171;'6            > C0 AB 27 36 20 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002203627ABC0, 320 bytes long.
 Data: <&#208; (6    @ (6    > D0 81 28 36 20 02 00 00 40 0A 28 36 20 02 00 00 
{285} normal block at 0x0000022036287FF0, 16 bytes long.
 Data: < &#140;(6            > 00 8C 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022036288180, 16 bytes long.
 Data: <&#216;&#139;(6            > D8 8B 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022036280560, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{282} normal block at 0x0000022036287EB0, 16 bytes long.
 Data: <&#176;&#139;(6            > B0 8B 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022036280800, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{280} normal block at 0x0000022036287E60, 16 bytes long.
 Data: <&#248;&#138;(6            > F8 8A 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022036287FA0, 16 bytes long.
 Data: <&#208;&#138;(6            > D0 8A 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022036287E10, 16 bytes long.
 Data: <&#168;&#138;(6            > A8 8A 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022036288400, 16 bytes long.
 Data: < &#138;(6            > 80 8A 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022036287F00, 16 bytes long.
 Data: <X&#138;(6            > 58 8A 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000220362882C0, 16 bytes long.
 Data: <0&#138;(6            > 30 8A 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022036288360, 16 bytes long.
 Data: <&#160;a(6            > A0 61 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000220362861A0, 40 bytes long.
 Data: <`&#131;(6    &#224;&#161;&#255;7    > 60 83 28 36 20 02 00 00 E0 A1 FF 37 20 02 00 00 
{271} normal block at 0x00000220362884A0, 16 bytes long.
 Data: < &#138;(6            > 10 8A 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022036288270, 16 bytes long.
 Data: <&#232;&#137;(6            > E8 89 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000220362804A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{268} normal block at 0x0000022036288720, 16 bytes long.
 Data: <&#192;&#137;(6            > C0 89 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000220362889C0, 992 bytes long.
 Data: < &#135;(6    &#160; (6    > 20 87 28 36 20 02 00 00 A0 04 28 36 20 02 00 00 
{103} normal block at 0x00000220362809E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{102} normal block at 0x000002203627F7E0, 16 bytes long.
 Data: <P`(6            > 50 60 28 36 20 02 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x0000022036286050, 40 bytes long.
 Data: <&#224;&#247;'6    &#224;	(6    > E0 F7 27 36 20 02 00 00 E0 09 28 36 20 02 00 00 
{80} normal block at 0x000002203627F470, 16 bytes long.
 Data: < &#234;[&#229;&#247;           > 80 EA 5B E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000002203627FB50, 16 bytes long.
 Data: <@&#233;[&#229;&#247;           > 40 E9 5B E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000002203627F510, 16 bytes long.
 Data: <&#248;WX&#229;&#247;           > F8 57 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000002203627F650, 16 bytes long.
 Data: <&#216;WX&#229;&#247;           > D8 57 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000002203627EE80, 16 bytes long.
 Data: <P X&#229;&#247;           > 50 04 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002203627F330, 16 bytes long.
 Data: <0 X&#229;&#247;           > 30 04 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002203627FCE0, 16 bytes long.
 Data: <&#224; X&#229;&#247;           > E0 02 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002203627F150, 16 bytes long.
 Data: <  X&#229;&#247;           > 10 04 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002203627FA10, 16 bytes long.
 Data: <p X&#229;&#247;           > 70 04 58 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002203627F3D0, 16 bytes long.
 Data: < &#192;V&#229;&#247;           > 18 C0 56 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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