Task 38680867

Name test_79-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND2789_0
Workunit 31622564
Created 27 Oct 2026, 2:01:16 UTC
Sent 27 Oct 2026, 2:01:21 UTC
Report deadline 1 Nov 2026, 2:01:21 UTC
Received 27 Oct 2026, 6:13:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644440
Run time 59 min 51 sec
CPU time 59 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.32 MB
Peak swap size 12.89 GB
Peak disk usage 4.04 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
01:12:14 (39704): wrapper (7.9.26016): starting
01:12:14 (39704): 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
01:12:15 (39704): Library/usr/bin/tar.exe exited; CPU time 0.031250
01:12:15 (39704): 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\32\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\32\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
02:12:27 (39704): C:/Windows/system32/cmd.exe exited; CPU time 3591.921875
02:12:27 (39704): 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: 98014571 bytes.
Dumping objects ->
{3835512} normal block at 0x0000017A6D08EF30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x0000017A6B3160D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x0000017A6B316060, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835479} normal block at 0x0000017A6B315FF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x0000017A6B315F80, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835437} normal block at 0x0000017A6D0DA2D0, 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) : {3835424} normal block at 0x0000017A6B30F960, 8 bytes long.
 Data: <  |kz   > 00 00 7C 6B 7A 01 00 00 
{3833965} normal block at 0x0000017A6B30FE60, 8 bytes long.
 Data: <P&#201; mz   > 50 C9 0E 6D 7A 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000017A6B306FC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017A6B308570, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000017A6B317180, 16 bytes long.
 Data: <x~1kz           > 78 7E 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017A6B3173B0, 16 bytes long.
 Data: <P~1kz           > 50 7E 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017A6B3126C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000017A6B3176D0, 16 bytes long.
 Data: <(~1kz           > 28 7E 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017A6B317A90, 16 bytes long.
 Data: < ~1kz           > 00 7E 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017A6B316DC0, 16 bytes long.
 Data: <&#216;}1kz           > D8 7D 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017A6B317A40, 16 bytes long.
 Data: <&#176;}1kz           > B0 7D 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017A6B316290, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000017A6B316FF0, 16 bytes long.
 Data: <X&#196;/kz           > 58 C4 2F 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017A6B312180, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000017A6B316D70, 16 bytes long.
 Data: <0&#196;/kz           > 30 C4 2F 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017A6B317680, 16 bytes long.
 Data: < &#196;/kz           > 08 C4 2F 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017A6B317220, 16 bytes long.
 Data: <&#224;&#195;/kz           > E0 C3 2F 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017A6B317360, 16 bytes long.
 Data: <&#184;&#195;/kz           > B8 C3 2F 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017A6B3175E0, 16 bytes long.
 Data: < &#195;/kz           > 90 C3 2F 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017A6B316CD0, 16 bytes long.
 Data: <h&#195;/kz           > 68 C3 2F 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017A6B312900, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000017A6B317950, 16 bytes long.
 Data: <@&#195;/kz           > 40 C3 2F 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017A6B2FC340, 320 bytes long.
 Data: <Py1kz    )1kz   > 50 79 31 6B 7A 01 00 00 00 29 31 6B 7A 01 00 00 
{278} normal block at 0x0000017A6B317900, 16 bytes long.
 Data: < }1kz           > 90 7D 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017A6B316BE0, 16 bytes long.
 Data: <h}1kz           > 68 7D 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017A6B312240, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000017A6B317400, 16 bytes long.
 Data: <@}1kz           > 40 7D 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017A6B311F40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000017A6B3179F0, 16 bytes long.
 Data: < |1kz           > 88 7C 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017A6B316EB0, 16 bytes long.
 Data: <`|1kz           > 60 7C 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017A6B316C80, 16 bytes long.
 Data: <8|1kz           > 38 7C 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017A6B3171D0, 16 bytes long.
 Data: < |1kz           > 10 7C 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017A6B317130, 16 bytes long.
 Data: <&#232;{1kz           > E8 7B 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017A6B316FA0, 16 bytes long.
 Data: <&#192;{1kz           > C0 7B 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017A6B3174F0, 16 bytes long.
 Data: <&#160;e1kz           > A0 65 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017A6B3165A0, 40 bytes long.
 Data: <&#240;t1kz   &#208;&#162; mz   > F0 74 31 6B 7A 01 00 00 D0 A2 0D 6D 7A 01 00 00 
{264} normal block at 0x0000017A6B316B90, 16 bytes long.
 Data: <&#160;{1kz           > A0 7B 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017A6B317860, 16 bytes long.
 Data: <x{1kz           > 78 7B 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017A6B312840, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000017A6B317310, 16 bytes long.
 Data: <P{1kz           > 50 7B 31 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017A6B317B50, 992 bytes long.
 Data: < s1kz   @(1kz   > 10 73 31 6B 7A 01 00 00 40 28 31 6B 7A 01 00 00 
{96} normal block at 0x0000017A6B312600, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000017A6B30FF50, 16 bytes long.
 Data: <&#176;&#208;/kz           > B0 D0 2F 6B 7A 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000017A6B2FD0B0, 40 bytes long.
 Data: <P&#255;0kz    &1kz   > 50 FF 30 6B 7A 01 00 00 00 26 31 6B 7A 01 00 00 
{73} normal block at 0x0000017A6B310590, 16 bytes long.
 Data: < &#234;a&#229;&#247;           > 80 EA 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000017A6B3106D0, 16 bytes long.
 Data: <@&#233;a&#229;&#247;           > 40 E9 61 E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017A6B310630, 16 bytes long.
 Data: <&#248;W^&#229;&#247;           > F8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017A6B30FBE0, 16 bytes long.
 Data: <&#216;W^&#229;&#247;           > D8 57 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017A6B30FDC0, 16 bytes long.
 Data: <P ^&#229;&#247;           > 50 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017A6B30FD70, 16 bytes long.
 Data: <0 ^&#229;&#247;           > 30 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017A6B310220, 16 bytes long.
 Data: <&#224; ^&#229;&#247;           > E0 02 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017A6B30FB90, 16 bytes long.
 Data: <  ^&#229;&#247;           > 10 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017A6B310090, 16 bytes long.
 Data: <p ^&#229;&#247;           > 70 04 5E E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017A6B310770, 16 bytes long.
 Data: < &#192;\&#229;&#247;           > 18 C0 5C E5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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