Task 38667319

Name test_904-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND2920_1
Workunit 31609938
Created 25 Oct 2026, 7:24:23 UTC
Sent 25 Oct 2026, 7:25:14 UTC
Report deadline 30 Oct 2026, 7:25:14 UTC
Received 25 Oct 2026, 15:06:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647966
Run time 1 hours 21 min 49 sec
CPU time 42 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 746.72 MB
Peak swap size 13.41 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:39:46 (2948): wrapper (7.9.26016): starting
20:39:46 (2948): 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
20:40:26 (2948): Library/usr/bin/tar.exe exited; CPU time 0.140625
20:40:26 (2948): 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\38\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\38\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
22:00:16 (2948): C:/Windows/system32/cmd.exe exited; CPU time 2577.562500
22:00:16 (2948): 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: 73210791 bytes.
Dumping objects ->
{3835242} normal block at 0x0000022D5B7CAE80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000022D5B7CB190, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x0000022D5B7CAD30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835209} normal block at 0x0000022D5B7CA9B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x0000022D5B7A43B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835167} normal block at 0x0000022D5D535400, 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) : {3835154} normal block at 0x0000022D5B799E30, 8 bytes long.
 Data: <  t[-   > 00 00 74 5B 2D 02 00 00 
{3833985} normal block at 0x0000022D5B799570, 8 bytes long.
 Data: < &#155;|[-   > 80 9B 7C 5B 2D 02 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x0000022D5B7A19D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x0000022D5B7A0930, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x0000022D5B7A68E0, 16 bytes long.
 Data: <(qz[-           > 28 71 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x0000022D5B7A6390, 16 bytes long.
 Data: < qz[-           > 00 71 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x0000022D5B79E310, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x0000022D5B7A67F0, 16 bytes long.
 Data: <&#216;pz[-           > D8 70 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x0000022D5B7A6BB0, 16 bytes long.
 Data: <&#176;pz[-           > B0 70 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000022D5B7A67A0, 16 bytes long.
 Data: < pz[-           > 88 70 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000022D5B7A6480, 16 bytes long.
 Data: <`pz[-           > 60 70 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000022D5B7A4500, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x0000022D5B7A6250, 16 bytes long.
 Data: <&#184;&#240;x[-           > B8 F0 78 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022D5B79E2B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x0000022D5B7A6890, 16 bytes long.
 Data: < &#240;x[-           > 90 F0 78 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022D5B7A64D0, 16 bytes long.
 Data: <h&#240;x[-           > 68 F0 78 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022D5B7A62F0, 16 bytes long.
 Data: <@&#240;x[-           > 40 F0 78 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022D5B7A6B10, 16 bytes long.
 Data: < &#240;x[-           > 18 F0 78 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022D5B7A6340, 16 bytes long.
 Data: <&#240;&#239;x[-           > F0 EF 78 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022D5B7A6750, 16 bytes long.
 Data: <&#200;&#239;x[-           > C8 EF 78 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022D5B79DE30, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{290} normal block at 0x0000022D5B7A6660, 16 bytes long.
 Data: <&#160;&#239;x[-           > A0 EF 78 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022D5B78EFA0, 320 bytes long.
 Data: <`fz[-   0&#222;y[-   > 60 66 7A 5B 2D 02 00 00 30 DE 79 5B 2D 02 00 00 
{288} normal block at 0x0000022D5B7A6200, 16 bytes long.
 Data: <@pz[-           > 40 70 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000022D5B7A6070, 16 bytes long.
 Data: < pz[-           > 18 70 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022D5B79DC50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x0000022D5B7A61B0, 16 bytes long.
 Data: <&#240;oz[-           > F0 6F 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022D5B79DFB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x0000022D5B7A6A70, 16 bytes long.
 Data: <8oz[-           > 38 6F 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022D5B7A6610, 16 bytes long.
 Data: < oz[-           > 10 6F 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022D5B7A6D90, 16 bytes long.
 Data: <&#232;nz[-           > E8 6E 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022D5B7A6160, 16 bytes long.
 Data: <&#192;nz[-           > C0 6E 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022D5B7A5FD0, 16 bytes long.
 Data: < nz[-           > 98 6E 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022D5B7A6700, 16 bytes long.
 Data: <pnz[-           > 70 6E 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022D5B7A63E0, 16 bytes long.
 Data: <pEz[-           > 70 45 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022D5B7A4570, 40 bytes long.
 Data: <&#224;cz[-    TS]-   > E0 63 7A 5B 2D 02 00 00 00 54 53 5D 2D 02 00 00 
{274} normal block at 0x0000022D5B7A60C0, 16 bytes long.
 Data: <Pnz[-           > 50 6E 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022D5B7A6840, 16 bytes long.
 Data: <(nz[-           > 28 6E 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022D5B79DBF0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x0000022D5B7A66B0, 16 bytes long.
 Data: < nz[-           > 00 6E 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022D5B7A6E00, 992 bytes long.
 Data: <&#176;fz[-   &#240;&#219;y[-   > B0 66 7A 5B 2D 02 00 00 F0 DB 79 5B 2D 02 00 00 
{106} normal block at 0x0000022D5B79D590, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x0000022D5B79A060, 16 bytes long.
 Data: <&#240;Hz[-           > F0 48 7A 5B 2D 02 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x0000022D5B7A48F0, 40 bytes long.
 Data: <`&#160;y[-    &#213;y[-   > 60 A0 79 5B 2D 02 00 00 90 D5 79 5B 2D 02 00 00 
{83} normal block at 0x0000022D5B799D90, 16 bytes long.
 Data: < &#234;&#158;"&#246;           > 80 EA 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x0000022D5B799750, 16 bytes long.
 Data: <@&#233;&#158;"&#246;           > 40 E9 9E 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000022D5B79A010, 16 bytes long.
 Data: <&#248;W&#155;"&#246;           > F8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x0000022D5B79A420, 16 bytes long.
 Data: <&#216;W&#155;"&#246;           > D8 57 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x0000022D5B799E80, 16 bytes long.
 Data: <P &#155;"&#246;           > 50 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000022D5B799980, 16 bytes long.
 Data: <0 &#155;"&#246;           > 30 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000022D5B799C00, 16 bytes long.
 Data: <&#224; &#155;"&#246;           > E0 02 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000022D5B7997F0, 16 bytes long.
 Data: <  &#155;"&#246;           > 10 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000022D5B79A380, 16 bytes long.
 Data: <p &#155;"&#246;           > 70 04 9B 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000022D5B799F20, 16 bytes long.
 Data: < &#192; "&#246;           > 18 C0 99 22 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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