Task 38668007

Name test_617-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6683_0
Workunit 31610575
Created 25 Oct 2026, 10:16:57 UTC
Sent 25 Oct 2026, 10:17:00 UTC
Report deadline 30 Oct 2026, 10:17:00 UTC
Received 25 Oct 2026, 10:46:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641350
Run time 28 min 54 sec
CPU time 27 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,410.98 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.70 MB
Peak swap size 5.38 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:18:08 (7076): wrapper (7.9.26016): starting
11:18:08 (7076): 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
11:18:09 (7076): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:18:09 (7076): 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
11:46:00 (7076): C:/Windows/system32/cmd.exe exited; CPU time 1656.531250
11:46:00 (7076): 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: 23548341 bytes.
Dumping objects ->
{3835240} normal block at 0x0000020538145770, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x00000205381458C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000020538145930, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000020538145690, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000020538145540, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x0000020539DCBC00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000020539DDFA90, 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) : {3835151} normal block at 0x000002053813DD60, 8 bytes long.
 Data: <  K8    > 00 00 4B 38 05 02 00 00 
{3834545} normal block at 0x0000020539DDF930, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002053813DFE0, 8 bytes long.
 Data: <&#192;&#233;&#221;9    > C0 E9 DD 39 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020538142470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000020538137220, 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 0x0000020538146C50, 16 bytes long.
 Data: <(q 8            > 28 71 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000020538146BB0, 16 bytes long.
 Data: < q 8            > 00 71 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020538140400, 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 0x0000020538145EE0, 16 bytes long.
 Data: <&#216;p 8            > D8 70 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020538146A20, 16 bytes long.
 Data: <&#176;p 8            > B0 70 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020538146CA0, 16 bytes long.
 Data: < p 8            > 88 70 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000205381467A0, 16 bytes long.
 Data: <`p 8            > 60 70 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000205381453F0, 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 0x0000020538146480, 16 bytes long.
 Data: <&#200;&#248; 8            > C8 F8 12 38 05 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002053813F9E0, 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 0x0000020538146B60, 16 bytes long.
 Data: <&#160;&#248; 8            > A0 F8 12 38 05 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020538146B10, 16 bytes long.
 Data: <x&#248; 8            > 78 F8 12 38 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020538146700, 16 bytes long.
 Data: <P&#248; 8            > 50 F8 12 38 05 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020538145F80, 16 bytes long.
 Data: <(&#248; 8            > 28 F8 12 38 05 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020538145E40, 16 bytes long.
 Data: < &#248; 8            > 00 F8 12 38 05 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000205381469D0, 16 bytes long.
 Data: <&#216;&#247; 8            > D8 F7 12 38 05 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002053813FF20, 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 0x0000020538146390, 16 bytes long.
 Data: <&#176;&#247; 8            > B0 F7 12 38 05 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002053812F7B0, 320 bytes long.
 Data: < c 8     &#255; 8    > 90 63 14 38 05 02 00 00 20 FF 13 38 05 02 00 00 
{276} normal block at 0x0000020538146020, 16 bytes long.
 Data: <@p 8            > 40 70 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020538146980, 16 bytes long.
 Data: < p 8            > 18 70 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000205381406A0, 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 0x0000020538146C00, 16 bytes long.
 Data: <&#240;o 8            > F0 6F 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002053813FBC0, 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 0x00000205381466B0, 16 bytes long.
 Data: <8o 8            > 38 6F 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020538146A70, 16 bytes long.
 Data: < o 8            > 10 6F 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020538146610, 16 bytes long.
 Data: <&#232;n 8            > E8 6E 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020538146430, 16 bytes long.
 Data: <&#192;n 8            > C0 6E 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020538146340, 16 bytes long.
 Data: < n 8            > 98 6E 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000205381462F0, 16 bytes long.
 Data: <pn 8            > 70 6E 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020538146890, 16 bytes long.
 Data: <&#176;U 8            > B0 55 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000205381455B0, 40 bytes long.
 Data: < h 8     &#188;&#220;9    > 90 68 14 38 05 02 00 00 00 BC DC 39 05 02 00 00 
{262} normal block at 0x0000020538146930, 16 bytes long.
 Data: <Pn 8            > 50 6E 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020538146750, 16 bytes long.
 Data: <(n 8            > 28 6E 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000205381403A0, 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 0x0000020538146200, 16 bytes long.
 Data: < n 8            > 00 6E 14 38 05 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020538146E00, 992 bytes long.
 Data: < b 8    &#160;  8    > 00 62 14 38 05 02 00 00 A0 03 14 38 05 02 00 00 
{94} normal block at 0x00000205381402E0, 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 0x000002053813E850, 16 bytes long.
 Data: < &#200; 8            > 10 C8 12 38 05 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002053812C810, 40 bytes long.
 Data: <P&#232; 8    &#224;  8    > 50 E8 13 38 05 02 00 00 E0 02 14 38 05 02 00 00 
{71} normal block at 0x000002053813D9F0, 16 bytes long.
 Data: < &#234;7G&#246;           > 80 EA 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002053813E7B0, 16 bytes long.
 Data: <@&#233;7G&#246;           > 40 E9 37 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002053813E260, 16 bytes long.
 Data: <&#248;W4G&#246;           > F8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002053813E760, 16 bytes long.
 Data: <&#216;W4G&#246;           > D8 57 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002053813E3A0, 16 bytes long.
 Data: <P 4G&#246;           > 50 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002053813DB30, 16 bytes long.
 Data: <0 4G&#246;           > 30 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002053813E1C0, 16 bytes long.
 Data: <&#224; 4G&#246;           > E0 02 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002053813E6C0, 16 bytes long.
 Data: <  4G&#246;           > 10 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002053813DB80, 16 bytes long.
 Data: <p 4G&#246;           > 70 04 34 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002053813E4E0, 16 bytes long.
 Data: < &#192;2G&#246;           > 18 C0 32 47 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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