Task 38686896

Name test_44-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND9539_0
Workunit 31628305
Created 28 Oct 2026, 4:56:07 UTC
Sent 28 Oct 2026, 4:56:10 UTC
Report deadline 2 Nov 2026, 4:56:10 UTC
Received 28 Oct 2026, 6:08:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630626
Run time 23 min 13 sec
CPU time 20 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 40,323.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 732.03 MB
Peak swap size 5.45 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:45:24 (26368): wrapper (7.9.26016): starting
01:45:24 (26368): 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
01:45:25 (26368): Library/usr/bin/tar.exe exited; CPU time 0.015625
01:45:25 (26368): 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\12\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\12\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
02:08:30 (26368): C:/Windows/system32/cmd.exe exited; CPU time 1229.390625
02:08:30 (26368): 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: 31221357 bytes.
Dumping objects ->
{3835576} normal block at 0x0000026F64D7B910, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835565} normal block at 0x0000026F64D7B6E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835554} normal block at 0x0000026F64D558C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835543} normal block at 0x0000026F64D55850, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835532} normal block at 0x0000026F64D55620, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835501} normal block at 0x0000026F66A9AD30, 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) : {3835488} normal block at 0x0000026F64D4E530, 8 bytes long.
 Data: <  'eo   > 00 00 27 65 6F 02 00 00 
{3833961} normal block at 0x0000026F64D4DDB0, 8 bytes long.
 Data: < &#229;&#226;do   > 90 E5 E2 64 6F 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000026F64D518C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026F64D46DC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000026F64D56870, 16 bytes long.
 Data: <&#184;p&#213;do           > B8 70 D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026F64D56AF0, 16 bytes long.
 Data: < p&#213;do           > 90 70 D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026F64D4FFD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000026F64D56820, 16 bytes long.
 Data: <hp&#213;do           > 68 70 D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026F64D55FB0, 16 bytes long.
 Data: <@p&#213;do           > 40 70 D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026F64D567D0, 16 bytes long.
 Data: < p&#213;do           > 18 70 D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026F64D56500, 16 bytes long.
 Data: <&#240;o&#213;do           > F0 6F D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026F64D55380, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000026F64D56730, 16 bytes long.
 Data: < &#150;&#212;do           > 18 96 D4 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026F64D4FC10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000026F64D55E70, 16 bytes long.
 Data: <&#240;&#149;&#212;do           > F0 95 D4 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026F64D56410, 16 bytes long.
 Data: <&#200;&#149;&#212;do           > C8 95 D4 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026F64D566E0, 16 bytes long.
 Data: <&#160;&#149;&#212;do           > A0 95 D4 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026F64D55F60, 16 bytes long.
 Data: <x&#149;&#212;do           > 78 95 D4 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026F64D56140, 16 bytes long.
 Data: <P&#149;&#212;do           > 50 95 D4 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026F64D56A00, 16 bytes long.
 Data: <(&#149;&#212;do           > 28 95 D4 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026F64D50030, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000026F64D55F10, 16 bytes long.
 Data: < &#149;&#212;do           > 00 95 D4 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026F64D49500, 320 bytes long.
 Data: < _&#213;do   0 &#213;do   > 10 5F D5 64 6F 02 00 00 30 00 D5 64 6F 02 00 00 
{276} normal block at 0x0000026F64D56690, 16 bytes long.
 Data: <&#208;o&#213;do           > D0 6F D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026F64D56AA0, 16 bytes long.
 Data: <&#168;o&#213;do           > A8 6F D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026F64D4FB50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000026F64D56640, 16 bytes long.
 Data: < o&#213;do           > 80 6F D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026F64D4FA90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000026F64D56A50, 16 bytes long.
 Data: <&#200;n&#213;do           > C8 6E D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026F64D56B40, 16 bytes long.
 Data: <&#160;n&#213;do           > A0 6E D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026F64D56780, 16 bytes long.
 Data: <xn&#213;do           > 78 6E D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026F64D562D0, 16 bytes long.
 Data: <Pn&#213;do           > 50 6E D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026F64D563C0, 16 bytes long.
 Data: <(n&#213;do           > 28 6E D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026F64D56370, 16 bytes long.
 Data: < n&#213;do           > 00 6E D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026F64D565F0, 16 bytes long.
 Data: <&#192;Q&#213;do           > C0 51 D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026F64D551C0, 40 bytes long.
 Data: <&#240;e&#213;do   0&#173;&#169;fo   > F0 65 D5 64 6F 02 00 00 30 AD A9 66 6F 02 00 00 
{262} normal block at 0x0000026F64D56C30, 16 bytes long.
 Data: <&#224;m&#213;do           > E0 6D D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026F64D56550, 16 bytes long.
 Data: <&#184;m&#213;do           > B8 6D D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026F64D4FAF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000026F64D55EC0, 16 bytes long.
 Data: < m&#213;do           > 90 6D D5 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026F64D56D90, 992 bytes long.
 Data: <&#192;^&#213;do   &#240;&#250;&#212;do   > C0 5E D5 64 6F 02 00 00 F0 FA D4 64 6F 02 00 00 
{94} normal block at 0x0000026F64D50630, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000026F64D4E670, 16 bytes long.
 Data: < &#216;&#211;do           > 20 D8 D3 64 6F 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000026F64D3D820, 40 bytes long.
 Data: <p&#230;&#212;do   0 &#213;do   > 70 E6 D4 64 6F 02 00 00 30 06 D5 64 6F 02 00 00 
{71} normal block at 0x0000026F64D4E1C0, 16 bytes long.
 Data: < &#234;aj&#246;           > 80 EA 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026F64D4DC70, 16 bytes long.
 Data: <@&#233;aj&#246;           > 40 E9 61 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026F64D4D900, 16 bytes long.
 Data: <&#248;W^j&#246;           > F8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026F64D4DC20, 16 bytes long.
 Data: <&#216;W^j&#246;           > D8 57 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026F64D4E440, 16 bytes long.
 Data: <P ^j&#246;           > 50 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026F64D4DF90, 16 bytes long.
 Data: <0 ^j&#246;           > 30 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026F64D4D950, 16 bytes long.
 Data: <&#224; ^j&#246;           > E0 02 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026F64D4DF40, 16 bytes long.
 Data: <  ^j&#246;           > 10 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026F64D4E030, 16 bytes long.
 Data: <p ^j&#246;           > 70 04 5E 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026F64D4E4E0, 16 bytes long.
 Data: < &#192;\j&#246;           > 18 C0 5C 6A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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