Task 38681667

Name test_290-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND6659_0
Workunit 31623325
Created 27 Oct 2026, 4:52:37 UTC
Sent 27 Oct 2026, 4:52:49 UTC
Report deadline 1 Nov 2026, 4:52:49 UTC
Received 27 Oct 2026, 6:49:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 28 min 54 sec
CPU time 27 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 715.89 MB
Peak swap size 9.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:20:24 (41996): wrapper (7.9.26016): starting
15:20:24 (41996): 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
15:20:25 (41996): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:20:25 (41996): 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\1\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\1\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
15:48:35 (41996): C:/Windows/system32/cmd.exe exited; CPU time 1628.234375
15:48:35 (41996): 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: 38797985 bytes.
Dumping objects ->
{3835380} normal block at 0x00000227712D2020, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x00000227712D16F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x00000227712D24F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x00000227712D1A70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x00000227712D1920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x00000227711FA450, 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) : {3835292} normal block at 0x000002276D77DDC0, 8 bytes long.
 Data: <  &#204;m'   > 00 00 CC 6D 27 02 00 00 
{3834077} normal block at 0x000002276D77DCD0, 8 bytes long.
 Data: < ,*q'   > E0 2C 2A 71 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002276D76E530, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002276D7678D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002276D77D320, 16 bytes long.
 Data: <8&#209;wm'           > 38 D1 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002276D77D460, 16 bytes long.
 Data: < &#209;wm'           > 10 D1 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002276D775A80, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002276D77DE10, 16 bytes long.
 Data: < &#208;wm'           > E8 D0 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002276D77D2D0, 16 bytes long.
 Data: <&#192;&#208;wm'           > C0 D0 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002276D77A080, 16 bytes long.
 Data: < &#208;wm'           > 98 D0 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002276D779A40, 16 bytes long.
 Data: <p&#208;wm'           > 70 D0 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002276D778040, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002276D779310, 16 bytes long.
 Data: < wwm'           > 88 77 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002276D776260, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002276D779360, 16 bytes long.
 Data: <`wwm'           > 60 77 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002276D77A030, 16 bytes long.
 Data: <8wwm'           > 38 77 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002276D779F90, 16 bytes long.
 Data: < wwm'           > 10 77 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002276D779E50, 16 bytes long.
 Data: < vwm'           > E8 76 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002276D779810, 16 bytes long.
 Data: <&#192;vwm'           > C0 76 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002276D779E00, 16 bytes long.
 Data: < vwm'           > 98 76 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002276D775F60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002276D7798B0, 16 bytes long.
 Data: <pvwm'           > 70 76 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002276D777670, 320 bytes long.
 Data: <&#176; wm'   `_wm'   > B0 98 77 6D 27 02 00 00 60 5F 77 6D 27 02 00 00 
{281} normal block at 0x000002276D7792C0, 16 bytes long.
 Data: <P&#208;wm'           > 50 D0 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002276D779270, 16 bytes long.
 Data: <(&#208;wm'           > 28 D0 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002276D775F00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002276D779B80, 16 bytes long.
 Data: < &#208;wm'           > 00 D0 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002276D775900, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002276D779FE0, 16 bytes long.
 Data: <H&#207;wm'           > 48 CF 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002276D779DB0, 16 bytes long.
 Data: < &#207;wm'           > 20 CF 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002276D779C70, 16 bytes long.
 Data: < &#206;wm'           > F8 CE 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002276D7797C0, 16 bytes long.
 Data: <&#208;&#206;wm'           > D0 CE 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002276D779C20, 16 bytes long.
 Data: <&#168;&#206;wm'           > A8 CE 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002276D77A1C0, 16 bytes long.
 Data: < &#206;wm'           > 80 CE 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002276D7794F0, 16 bytes long.
 Data: < ~wm'           > F0 7E 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002276D777EF0, 40 bytes long.
 Data: <  wm'   P&#164; q'   > F0 94 77 6D 27 02 00 00 50 A4 1F 71 27 02 00 00 
{267} normal block at 0x000002276D779720, 16 bytes long.
 Data: <`&#206;wm'           > 60 CE 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002276D77A170, 16 bytes long.
 Data: <8&#206;wm'           > 38 CE 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002276D775C60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002276D779B30, 16 bytes long.
 Data: < &#206;wm'           > 10 CE 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002276D77CE10, 992 bytes long.
 Data: <0 wm'   `\wm'   > 30 9B 77 6D 27 02 00 00 60 5C 77 6D 27 02 00 00 
{99} normal block at 0x000002276D775B40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002276D779EA0, 16 bytes long.
 Data: <P|wm'           > 50 7C 77 6D 27 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002276D777C50, 40 bytes long.
 Data: <  wm'   @[wm'   > A0 9E 77 6D 27 02 00 00 40 5B 77 6D 27 02 00 00 
{74} normal block at 0x000002276D779450, 16 bytes long.
 Data: <   m            > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002276D779590, 16 bytes long.
 Data: <@  m            > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002276D77A0D0, 16 bytes long.
 Data: < W m            > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002276D779F40, 16 bytes long.
 Data: <&#216;W m            > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002276D779770, 16 bytes long.
 Data: <P  m            > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002276D7799F0, 16 bytes long.
 Data: <0  m            > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002276D76BF60, 16 bytes long.
 Data: <   m            > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002276D76BEC0, 16 bytes long.
 Data: <   m            > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002276D76BE20, 16 bytes long.
 Data: <p  m            > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002276D76BB00, 16 bytes long.
 Data: < &#192; m            > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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