Task 38677302

Name test_563-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8357_0
Workunit 31619181
Created 26 Oct 2026, 13:54:08 UTC
Sent 26 Oct 2026, 13:54:13 UTC
Report deadline 31 Oct 2026, 13:54:13 UTC
Received 26 Oct 2026, 14:45:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630626
Run time 21 min 24 sec
CPU time 20 min 28 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 729.85 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>
10:21:02 (17368): wrapper (7.9.26016): starting
10:21:02 (17368): 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
10:21:03 (17368): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:21:03 (17368): 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
10:44:43 (17368): C:/Windows/system32/cmd.exe exited; CPU time 1228.843750
10:44:43 (17368): 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: 33268939 bytes.
Dumping objects ->
{3835576} normal block at 0x00000159BFD9ED60, 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 0x00000159BFD9EC10, 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 0x00000159BE0D6D40, 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 0x00000159BE0D6C60, 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 0x00000159BE0D6BF0, 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 0x00000159BFDE68D0, 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 0x00000159BE0D0B90, 8 bytes long.
 Data: <  I&#190;Y   > 00 00 49 BE 59 01 00 00 
{3833961} normal block at 0x00000159BE0D0FF0, 8 bytes long.
 Data: <&#176;d&#228;&#191;Y   > B0 64 E4 BF 59 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000159BE0D3490, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000159BE0C8440, 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 0x00000159BE0D80E0, 16 bytes long.
 Data: < &#134; &#190;Y           > 08 86 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000159BE0D7B40, 16 bytes long.
 Data: <&#224;&#133; &#190;Y           > E0 85 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000159BE0CF620, 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 0x00000159BE0D77D0, 16 bytes long.
 Data: <&#184;&#133; &#190;Y           > B8 85 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000159BE0D7E10, 16 bytes long.
 Data: < &#133; &#190;Y           > 90 85 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000159BE0D7DC0, 16 bytes long.
 Data: <h&#133; &#190;Y           > 68 85 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000159BE0D7690, 16 bytes long.
 Data: <@&#133; &#190;Y           > 40 85 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000159BE0D6E20, 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 0x00000159BE0D7D70, 16 bytes long.
 Data: <&#168;  &#190;Y           > A8 0C 0C BE 59 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000159BE0CFB60, 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 0x00000159BE0D7780, 16 bytes long.
 Data: <   &#190;Y           > 80 0C 0C BE 59 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000159BE0D8220, 16 bytes long.
 Data: <X  &#190;Y           > 58 0C 0C BE 59 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000159BE0D8040, 16 bytes long.
 Data: <0  &#190;Y           > 30 0C 0C BE 59 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000159BE0D7FA0, 16 bytes long.
 Data: <   &#190;Y           > 08 0C 0C BE 59 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000159BE0D7C30, 16 bytes long.
 Data: <&#224;  &#190;Y           > E0 0B 0C BE 59 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000159BE0D7AF0, 16 bytes long.
 Data: <&#184;  &#190;Y           > B8 0B 0C BE 59 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000159BE0CFE00, 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 0x00000159BE0D8180, 16 bytes long.
 Data: <   &#190;Y           > 90 0B 0C BE 59 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000159BE0C0B90, 320 bytes long.
 Data: <   &#190;Y    &#254; &#190;Y   > 80 81 0D BE 59 01 00 00 00 FE 0C BE 59 01 00 00 
{276} normal block at 0x00000159BE0D7CD0, 16 bytes long.
 Data: < &#133; &#190;Y           > 20 85 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000159BE0D7A00, 16 bytes long.
 Data: <&#248;&#132; &#190;Y           > F8 84 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000159BE0CFD40, 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 0x00000159BE0D7F50, 16 bytes long.
 Data: <&#208;&#132; &#190;Y           > D0 84 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000159BE0CF380, 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 0x00000159BE0D76E0, 16 bytes long.
 Data: < &#132; &#190;Y           > 18 84 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000159BE0D7E60, 16 bytes long.
 Data: <&#240;&#131; &#190;Y           > F0 83 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000159BE0D7820, 16 bytes long.
 Data: <&#200;&#131; &#190;Y           > C8 83 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000159BE0D7460, 16 bytes long.
 Data: <&#160;&#131; &#190;Y           > A0 83 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000159BE0D79B0, 16 bytes long.
 Data: <x&#131; &#190;Y           > 78 83 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000159BE0D8090, 16 bytes long.
 Data: <P&#131; &#190;Y           > 50 83 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000159BE0D7D20, 16 bytes long.
 Data: <&#160;q &#190;Y           > A0 71 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000159BE0D71A0, 40 bytes long.
 Data: < } &#190;Y   &#208;h&#222;&#191;Y   > 20 7D 0D BE 59 01 00 00 D0 68 DE BF 59 01 00 00 
{262} normal block at 0x00000159BE0D7910, 16 bytes long.
 Data: <0&#131; &#190;Y           > 30 83 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000159BE0D7960, 16 bytes long.
 Data: < &#131; &#190;Y           > 08 83 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000159BE0CFE60, 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 0x00000159BE0D7F00, 16 bytes long.
 Data: <&#224;&#130; &#190;Y           > E0 82 0D BE 59 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000159BE0D82E0, 992 bytes long.
 Data: <   &#190;Y   `&#254; &#190;Y   > 00 7F 0D BE 59 01 00 00 60 FE 0C BE 59 01 00 00 
{94} normal block at 0x00000159BE0CF8C0, 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 0x00000159BE0D1270, 16 bytes long.
 Data: <   &#190;Y           > 90 15 0C BE 59 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000159BE0C1590, 40 bytes long.
 Data: <p  &#190;Y   &#192;&#248; &#190;Y   > 70 12 0D BE 59 01 00 00 C0 F8 0C BE 59 01 00 00 
{71} normal block at 0x00000159BE0D0BE0, 16 bytes long.
 Data: < &#234;X2&#247;           > 80 EA 58 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000159BE0D0FA0, 16 bytes long.
 Data: <@&#233;X2&#247;           > 40 E9 58 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000159BE0D1770, 16 bytes long.
 Data: <&#248;WU2&#247;           > F8 57 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000159BE0D1590, 16 bytes long.
 Data: <&#216;WU2&#247;           > D8 57 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000159BE0D0F50, 16 bytes long.
 Data: <P U2&#247;           > 50 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000159BE0D1090, 16 bytes long.
 Data: <0 U2&#247;           > 30 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000159BE0D11D0, 16 bytes long.
 Data: <&#224; U2&#247;           > E0 02 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000159BE0D0D20, 16 bytes long.
 Data: <  U2&#247;           > 10 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000159BE0D1860, 16 bytes long.
 Data: <p U2&#247;           > 70 04 55 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000159BE0D1720, 16 bytes long.
 Data: < &#192;S2&#247;           > 18 C0 53 32 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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