Task 38678976

Name test_74-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7783_0
Workunit 31620775
Created 26 Oct 2026, 19:04:26 UTC
Sent 26 Oct 2026, 19:04:31 UTC
Report deadline 31 Oct 2026, 19:04:31 UTC
Received 27 Oct 2026, 11:37:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616901
Run time 25 min 19 sec
CPU time 24 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 24,398.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.59 MB
Peak swap size 12.93 GB
Peak disk usage 3.46 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:12:19 (25912): wrapper (7.9.26016): starting
14:12:19 (25912): 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
14:12:20 (25912): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:12:20 (25912): 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\0\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\0\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
14:36:42 (25912): C:/Windows/system32/cmd.exe exited; CPU time 1457.250000
14:36:42 (25912): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 25071753 bytes.
Dumping objects ->
{3835495} normal block at 0x000001E6F038C6F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835484} normal block at 0x000001E6F038C300, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835473} normal block at 0x000001E6F038C3E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835462} normal block at 0x000001E6F038C760, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835451} normal block at 0x000001E6EE634E20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835420} normal block at 0x000001E6F03D9080, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x000001E6EE68CC00, 140 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) : {3835406} normal block at 0x000001E6EE62DAB0, 8 bytes long.
 Data: <  `&#238;&#230;   > 00 00 60 EE E6 01 00 00 
{3834777} normal block at 0x000001E6EE68C990, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834162} normal block at 0x000001E6EE62D600, 8 bytes long.
 Data: <`FC&#240;&#230;   > 60 46 43 F0 E6 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001E6EE631490, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001E6EE626EB0, 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 0x000001E6EE636440, 16 bytes long.
 Data: < jc&#238;&#230;           > 08 6A 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001E6EE6359A0, 16 bytes long.
 Data: <&#224;ic&#238;&#230;           > E0 69 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001E6EE62FF20, 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 0x000001E6EE635D10, 16 bytes long.
 Data: <&#184;ic&#238;&#230;           > B8 69 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E6EE635950, 16 bytes long.
 Data: < ic&#238;&#230;           > 90 69 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001E6EE635FE0, 16 bytes long.
 Data: <hic&#238;&#230;           > 68 69 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E6EE6363F0, 16 bytes long.
 Data: <@ic&#238;&#230;           > 40 69 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E6EE634E90, 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 0x000001E6EE635900, 16 bytes long.
 Data: <&#168;&#183;a&#238;&#230;           > A8 B7 61 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E6EE62F500, 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 0x000001E6EE6364E0, 16 bytes long.
 Data: < &#183;a&#238;&#230;           > 80 B7 61 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E6EE635AE0, 16 bytes long.
 Data: <X&#183;a&#238;&#230;           > 58 B7 61 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001E6EE635EA0, 16 bytes long.
 Data: <0&#183;a&#238;&#230;           > 30 B7 61 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E6EE6363A0, 16 bytes long.
 Data: < &#183;a&#238;&#230;           > 08 B7 61 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001E6EE635EF0, 16 bytes long.
 Data: <&#224;&#182;a&#238;&#230;           > E0 B6 61 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001E6EE635A90, 16 bytes long.
 Data: <&#184;&#182;a&#238;&#230;           > B8 B6 61 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E6EE62F7A0, 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 0x000001E6EE635DB0, 16 bytes long.
 Data: < &#182;a&#238;&#230;           > 90 B6 61 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E6EE61B690, 320 bytes long.
 Data: <&#176;]c&#238;&#230;   &#160;&#247;b&#238;&#230;   > B0 5D 63 EE E6 01 00 00 A0 F7 62 EE E6 01 00 00 
{278} normal block at 0x000001E6EE635A40, 16 bytes long.
 Data: < ic&#238;&#230;           > 20 69 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E6EE636490, 16 bytes long.
 Data: <&#248;hc&#238;&#230;           > F8 68 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E6EE62FAA0, 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 0x000001E6EE6358B0, 16 bytes long.
 Data: <&#208;hc&#238;&#230;           > D0 68 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E6EE62FBC0, 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 0x000001E6EE635E00, 16 bytes long.
 Data: < hc&#238;&#230;           > 18 68 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E6EE635770, 16 bytes long.
 Data: <&#240;gc&#238;&#230;           > F0 67 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E6EE636300, 16 bytes long.
 Data: <&#200;gc&#238;&#230;           > C8 67 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001E6EE636210, 16 bytes long.
 Data: <&#160;gc&#238;&#230;           > A0 67 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E6EE635E50, 16 bytes long.
 Data: <xgc&#238;&#230;           > 78 67 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001E6EE636670, 16 bytes long.
 Data: <Pgc&#238;&#230;           > 50 67 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E6EE636030, 16 bytes long.
 Data: <0Qc&#238;&#230;           > 30 51 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E6EE635130, 40 bytes long.
 Data: <0`c&#238;&#230;     =&#240;&#230;   > 30 60 63 EE E6 01 00 00 80 90 3D F0 E6 01 00 00 
{264} normal block at 0x000001E6EE635B30, 16 bytes long.
 Data: <0gc&#238;&#230;           > 30 67 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E6EE635860, 16 bytes long.
 Data: < gc&#238;&#230;           > 08 67 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001E6EE62F9E0, 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 0x000001E6EE635810, 16 bytes long.
 Data: <&#224;fc&#238;&#230;           > E0 66 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E6EE6366E0, 992 bytes long.
 Data: < Xc&#238;&#230;   &#224;&#249;b&#238;&#230;   > 10 58 63 EE E6 01 00 00 E0 F9 62 EE E6 01 00 00 
{96} normal block at 0x000001E6EE62F140, 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 0x000001E6EE62DD80, 16 bytes long.
 Data: <&#192;Pc&#238;&#230;           > C0 50 63 EE E6 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001E6EE6350C0, 40 bytes long.
 Data: < &#221;b&#238;&#230;   @&#241;b&#238;&#230;   > 80 DD 62 EE E6 01 00 00 40 F1 62 EE E6 01 00 00 
{73} normal block at 0x000001E6EE62DCE0, 16 bytes long.
 Data: < &#234;&#168;D&#246;           > 80 EA A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001E6EE62DE20, 16 bytes long.
 Data: <@&#233;&#168;D&#246;           > 40 E9 A8 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001E6EE62D4C0, 16 bytes long.
 Data: <&#248;W&#165;D&#246;           > F8 57 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001E6EE62D380, 16 bytes long.
 Data: <&#216;W&#165;D&#246;           > D8 57 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001E6EE62D330, 16 bytes long.
 Data: <P &#165;D&#246;           > 50 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001E6EE62D970, 16 bytes long.
 Data: <0 &#165;D&#246;           > 30 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E6EE62DC40, 16 bytes long.
 Data: <&#224; &#165;D&#246;           > E0 02 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E6EE62E280, 16 bytes long.
 Data: <  &#165;D&#246;           > 10 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E6EE62DBF0, 16 bytes long.
 Data: <p &#165;D&#246;           > 70 04 A5 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E6EE62E190, 16 bytes long.
 Data: < &#192;&#163;D&#246;           > 18 C0 A3 44 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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