Task 38684459

Name test_530-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0107_0
Workunit 31625973
Created 27 Oct 2026, 16:28:12 UTC
Sent 27 Oct 2026, 16:28:22 UTC
Report deadline 1 Nov 2026, 16:28:22 UTC
Received 27 Oct 2026, 17:03:13 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585156
Run time 32 min 43 sec
CPU time 31 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 43,943.47 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.72 MB
Peak swap size 7.00 GB
Peak disk usage 4.14 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:30:08 (31928): wrapper (7.9.26016): starting
17:30:08 (31928): 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
17:30:09 (31928): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:30:09 (31928): 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\4\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\4\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: Exiting with failure status due to previous errors
18:01:59 (31928): C:/Windows/system32/cmd.exe exited; CPU time 1911.312500
18:01:59 (31928): 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: 40350607 bytes.
Dumping objects ->
{3835244} normal block at 0x0000026321226EA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000026321226C70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000026321226C00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x0000026321227300, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x0000026321227370, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x0000026321227F90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000026322D2E190, 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) : {3835155} normal block at 0x00000263211F75F0, 8 bytes long.
 Data: <   !c   > 00 00 19 21 63 02 00 00 
{3834549} normal block at 0x0000026322D2E660, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x00000263211F71E0, 8 bytes long.
 Data: <&#208;&#233;-!c   > D0 E9 2D 21 63 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000026321201D00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000263211E60C0, 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 0x00000263212034C0, 16 bytes long.
 Data: <8C !c           > 38 43 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026321203420, 16 bytes long.
 Data: < C !c           > 10 43 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000263211FBE50, 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 0x0000026321203650, 16 bytes long.
 Data: <&#232;B !c           > E8 42 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026321203470, 16 bytes long.
 Data: <&#192;B !c           > C0 42 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026321203790, 16 bytes long.
 Data: < B !c           > 98 42 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000263212033D0, 16 bytes long.
 Data: <pB !c           > 70 42 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000263211FDCD0, 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 0x00000263212036F0, 16 bytes long.
 Data: <&#168;&#216; !c           > A8 D8 1F 21 63 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000263211FBD90, 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 0x0000026321203600, 16 bytes long.
 Data: < &#216; !c           > 80 D8 1F 21 63 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026321203240, 16 bytes long.
 Data: <X&#216; !c           > 58 D8 1F 21 63 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026321203060, 16 bytes long.
 Data: <0&#216; !c           > 30 D8 1F 21 63 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026321203330, 16 bytes long.
 Data: < &#216; !c           > 08 D8 1F 21 63 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000263212030B0, 16 bytes long.
 Data: <&#224;&#215; !c           > E0 D7 1F 21 63 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026321203970, 16 bytes long.
 Data: <&#184;&#215; !c           > B8 D7 1F 21 63 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000263211FC8D0, 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 0x0000026321202E80, 16 bytes long.
 Data: < &#215; !c           > 90 D7 1F 21 63 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000263211FD790, 320 bytes long.
 Data: < . !c   &#208;&#200; !c   > 80 2E 20 21 63 02 00 00 D0 C8 1F 21 63 02 00 00 
{278} normal block at 0x00000263212035B0, 16 bytes long.
 Data: <PB !c           > 50 42 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026321202F70, 16 bytes long.
 Data: <(B !c           > 28 42 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000263211FBC70, 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 0x0000026321203920, 16 bytes long.
 Data: < B !c           > 00 42 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000263211FC750, 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 0x0000026321202E30, 16 bytes long.
 Data: <HA !c           > 48 41 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026321203010, 16 bytes long.
 Data: < A !c           > 20 41 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026321202C50, 16 bytes long.
 Data: <&#248;@ !c           > F8 40 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026321203290, 16 bytes long.
 Data: <&#208;@ !c           > D0 40 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026321203B00, 16 bytes long.
 Data: <&#168;@ !c           > A8 40 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026321202FC0, 16 bytes long.
 Data: < @ !c           > 80 40 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026321203BA0, 16 bytes long.
 Data: < &#219; !c           > 80 DB 1F 21 63 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000263211FDB80, 40 bytes long.
 Data: <&#160;; !c     "!c   > A0 3B 20 21 63 02 00 00 90 7F 22 21 63 02 00 00 
{264} normal block at 0x00000263212032E0, 16 bytes long.
 Data: <`@ !c           > 60 40 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000263212031F0, 16 bytes long.
 Data: <8@ !c           > 38 40 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000263211FC2D0, 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 0x0000026321203510, 16 bytes long.
 Data: < @ !c           > 10 40 20 21 63 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026321204010, 992 bytes long.
 Data: < 5 !c   &#208;&#194; !c   > 10 35 20 21 63 02 00 00 D0 C2 1F 21 63 02 00 00 
{96} normal block at 0x00000263211FC630, 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 0x00000263211F7A50, 16 bytes long.
 Data: <&#192;&#217; !c           > C0 D9 1F 21 63 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000263211FD9C0, 40 bytes long.
 Data: <Pz !c   0&#198; !c   > 50 7A 1F 21 63 02 00 00 30 C6 1F 21 63 02 00 00 
{73} normal block at 0x00000263211F7190, 16 bytes long.
 Data: < &#234;&#235;n&#246;           > 80 EA EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000263211F7140, 16 bytes long.
 Data: <@&#233;&#235;n&#246;           > 40 E9 EB 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000263211F7A00, 16 bytes long.
 Data: <&#248;W&#232;n&#246;           > F8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000263211F70F0, 16 bytes long.
 Data: <&#216;W&#232;n&#246;           > D8 57 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000263211F7960, 16 bytes long.
 Data: <P &#232;n&#246;           > 50 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000263211F72D0, 16 bytes long.
 Data: <0 &#232;n&#246;           > 30 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000263211F7050, 16 bytes long.
 Data: <&#224; &#232;n&#246;           > E0 02 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000263211F6D30, 16 bytes long.
 Data: <  &#232;n&#246;           > 10 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000263211F79B0, 16 bytes long.
 Data: <p &#232;n&#246;           > 70 04 E8 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000263211F7690, 16 bytes long.
 Data: < &#192;&#230;n&#246;           > 18 C0 E6 6E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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