Task 38683869

Name test_32-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND7887_0
Workunit 31625408
Created 27 Oct 2026, 13:41:32 UTC
Sent 27 Oct 2026, 13:41:37 UTC
Report deadline 1 Nov 2026, 13:41:37 UTC
Received 27 Oct 2026, 15:07:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 42 min 54 sec
CPU time 39 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.40 MB
Peak swap size 5.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:24:29 (9472): wrapper (7.9.26016): starting
15:24:29 (9472): 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
15:24:31 (9472): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:24:31 (9472): 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\10\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\10\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
16:06:17 (9472): C:/Windows/system32/cmd.exe exited; CPU time 2373.171875
16:06:17 (9472): 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: 35533329 bytes.
Dumping objects ->
{3835282} normal block at 0x000001F422C1DF40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000001F422C1DBC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000001F420FC4B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x000001F420FC5020, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001F420FC4C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x000001F422C652B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001F422C7F470, 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) : {3835193} normal block at 0x000001F420FBEE60, 8 bytes long.
 Data: <  >!&#244;   > 00 00 3E 21 F4 01 00 00 
{3834569} normal block at 0x000001F422C7F680, 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 0x000001F420FBF900, 8 bytes long.
 Data: < >&#204;"&#244;   > 80 3E CC 22 F4 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F420FBDE50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F420FB6850, 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 0x000001F420FC5DB0, 16 bytes long.
 Data: <&#168;j&#252; &#244;           > A8 6A FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F420FC5E00, 16 bytes long.
 Data: < j&#252; &#244;           > 80 6A FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F420FC0520, 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 0x000001F420FC6350, 16 bytes long.
 Data: <Xj&#252; &#244;           > 58 6A FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F420FC59A0, 16 bytes long.
 Data: <0j&#252; &#244;           > 30 6A FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F420FC60D0, 16 bytes long.
 Data: < j&#252; &#244;           > 08 6A FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F420FC6300, 16 bytes long.
 Data: <&#224;i&#252; &#244;           > E0 69 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F420FC5090, 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 0x000001F420FC5C20, 16 bytes long.
 Data: <8&#244;&#250; &#244;           > 38 F4 FA 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F420FC0460, 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 0x000001F420FC6080, 16 bytes long.
 Data: < &#244;&#250; &#244;           > 10 F4 FA 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F420FC6210, 16 bytes long.
 Data: <&#232;&#243;&#250; &#244;           > E8 F3 FA 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F420FC5860, 16 bytes long.
 Data: <&#192;&#243;&#250; &#244;           > C0 F3 FA 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F420FC6030, 16 bytes long.
 Data: < &#243;&#250; &#244;           > 98 F3 FA 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F420FC5F40, 16 bytes long.
 Data: <p&#243;&#250; &#244;           > 70 F3 FA 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F420FC5BD0, 16 bytes long.
 Data: <H&#243;&#250; &#244;           > 48 F3 FA 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F420FC04C0, 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 0x000001F420FC6120, 16 bytes long.
 Data: < &#243;&#250; &#244;           > 20 F3 FA 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F420FAF320, 320 bytes long.
 Data: < a&#252; &#244;   &#192; &#252; &#244;   > 20 61 FC 20 F4 01 00 00 C0 04 FC 20 F4 01 00 00 
{276} normal block at 0x000001F420FC5EA0, 16 bytes long.
 Data: <&#192;i&#252; &#244;           > C0 69 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F420FC5EF0, 16 bytes long.
 Data: < i&#252; &#244;           > 98 69 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F420FBFB00, 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 0x000001F420FC5B80, 16 bytes long.
 Data: <pi&#252; &#244;           > 70 69 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F420FBFE60, 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 0x000001F420FC5D10, 16 bytes long.
 Data: <&#184;h&#252; &#244;           > B8 68 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F420FC5C70, 16 bytes long.
 Data: < h&#252; &#244;           > 90 68 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F420FC5F90, 16 bytes long.
 Data: <hh&#252; &#244;           > 68 68 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F420FC5810, 16 bytes long.
 Data: <@h&#252; &#244;           > 40 68 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F420FC5D60, 16 bytes long.
 Data: < h&#252; &#244;           > 18 68 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F420FC5B30, 16 bytes long.
 Data: <&#240;g&#252; &#244;           > F0 67 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F420FC5FE0, 16 bytes long.
 Data: <&#160;L&#252; &#244;           > A0 4C FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F420FC4CA0, 40 bytes long.
 Data: <&#224;_&#252; &#244;   &#176;R&#198;"&#244;   > E0 5F FC 20 F4 01 00 00 B0 52 C6 22 F4 01 00 00 
{262} normal block at 0x000001F420FC6260, 16 bytes long.
 Data: <&#208;g&#252; &#244;           > D0 67 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F420FC62B0, 16 bytes long.
 Data: <&#168;g&#252; &#244;           > A8 67 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F420FBFF80, 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 0x000001F420FC61C0, 16 bytes long.
 Data: < g&#252; &#244;           > 80 67 FC 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F420FC6780, 992 bytes long.
 Data: <&#192;a&#252; &#244;     &#251; &#244;   > C0 61 FC 20 F4 01 00 00 80 FF FB 20 F4 01 00 00 
{94} normal block at 0x000001F420FC0880, 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 0x000001F420FBF8B0, 16 bytes long.
 Data: <@&#212;&#250; &#244;           > 40 D4 FA 20 F4 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F420FAD440, 40 bytes long.
 Data: <&#176;&#248;&#251; &#244;     &#252; &#244;   > B0 F8 FB 20 F4 01 00 00 80 08 FC 20 F4 01 00 00 
{71} normal block at 0x000001F420FBF360, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F420FBF860, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F420FBF130, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F420FBEDC0, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F420FBF9F0, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F420FBF590, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F420FBF810, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F420FBF680, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F420FBF770, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F420FBF090, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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