Task 38647637

Name test_524-GPUGRID_TEST_ATM_4STEP_20261023-0-4-RND8722_0
Workunit 31592364
Created 23 Oct 2026, 20:15:56 UTC
Sent 23 Oct 2026, 20:41:40 UTC
Report deadline 28 Oct 2026, 20:41:40 UTC
Received 23 Oct 2026, 21:54:36 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618046
Run time 16 min 40 sec
CPU time 15 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 45,115.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 737.56 MB
Peak swap size 11.49 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
23:36:58 (17116): wrapper (7.9.26016): starting
23:36:58 (17116): 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
23:36:59 (17116): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:36:59 (17116): 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
23:53:47 (17116): C:/Windows/system32/cmd.exe exited; CPU time 931.515625
23:53:47 (17116): 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: 21351685 bytes.
Dumping objects ->
{3835276} normal block at 0x000002219AD99310, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000002219AD99150, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000002219AD990E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x000002219AD99700, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000002219AD99000, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x000002219CB3A3A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000002219CB52AA0, 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) : {3835187} normal block at 0x000002219AD8D950, 8 bytes long.
 Data: <  &#214;&#154;!   > 00 00 D6 9A 21 02 00 00 
{3834566} normal block at 0x000002219CB53180, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002219AD8DEA0, 8 bytes long.
 Data: <&#208;&#219;&#215;&#154;!   > D0 DB D7 9A 21 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002219AD91220, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002219AD85E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002219AD9A820, 16 bytes long.
 Data: <&#168;&#172;&#217;&#154;!           > A8 AC D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002219AD9A7D0, 16 bytes long.
 Data: < &#172;&#217;&#154;!           > 80 AC D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002219AD8EEB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002219AD99BA0, 16 bytes long.
 Data: <X&#172;&#217;&#154;!           > 58 AC D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002219AD99AB0, 16 bytes long.
 Data: <0&#172;&#217;&#154;!           > 30 AC D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002219AD9A6E0, 16 bytes long.
 Data: < &#172;&#217;&#154;!           > 08 AC D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002219AD99A10, 16 bytes long.
 Data: <&#224;&#171;&#217;&#154;!           > E0 AB D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002219AD99070, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002219AD9A690, 16 bytes long.
 Data: <&#248; &#216;&#154;!           > F8 8D D8 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002219AD8F5D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002219AD9A640, 16 bytes long.
 Data: <&#208; &#216;&#154;!           > D0 8D D8 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002219AD9A2D0, 16 bytes long.
 Data: <&#168; &#216;&#154;!           > A8 8D D8 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002219AD9A320, 16 bytes long.
 Data: <  &#216;&#154;!           > 80 8D D8 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002219AD99D30, 16 bytes long.
 Data: <X &#216;&#154;!           > 58 8D D8 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002219AD9A870, 16 bytes long.
 Data: <0 &#216;&#154;!           > 30 8D D8 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002219AD9A280, 16 bytes long.
 Data: <  &#216;&#154;!           > 08 8D D8 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002219AD8F4B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002219AD9A550, 16 bytes long.
 Data: <&#224;&#140;&#216;&#154;!           > E0 8C D8 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002219AD88CE0, 320 bytes long.
 Data: <P&#165;&#217;&#154;!   &#176;&#244;&#216;&#154;!   > 50 A5 D9 9A 21 02 00 00 B0 F4 D8 9A 21 02 00 00 
{276} normal block at 0x000002219AD9A780, 16 bytes long.
 Data: <&#192;&#171;&#217;&#154;!           > C0 AB D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002219AD99E70, 16 bytes long.
 Data: < &#171;&#217;&#154;!           > 98 AB D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002219AD8FAB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002219AD99CE0, 16 bytes long.
 Data: <p&#171;&#217;&#154;!           > 70 AB D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002219AD8F510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002219AD99B00, 16 bytes long.
 Data: <&#184;&#170;&#217;&#154;!           > B8 AA D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002219AD9A500, 16 bytes long.
 Data: < &#170;&#217;&#154;!           > 90 AA D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002219AD9A410, 16 bytes long.
 Data: <h&#170;&#217;&#154;!           > 68 AA D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002219AD9A730, 16 bytes long.
 Data: <@&#170;&#217;&#154;!           > 40 AA D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002219AD9A1E0, 16 bytes long.
 Data: < &#170;&#217;&#154;!           > 18 AA D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002219AD9A5F0, 16 bytes long.
 Data: <&#240;&#169;&#217;&#154;!           > F0 A9 D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002219AD999C0, 16 bytes long.
 Data: <@&#149;&#217;&#154;!           > 40 95 D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002219AD99540, 40 bytes long.
 Data: <&#192; &#217;&#154;!   &#160;&#163;&#179;&#156;!   > C0 99 D9 9A 21 02 00 00 A0 A3 B3 9C 21 02 00 00 
{262} normal block at 0x000002219AD9A4B0, 16 bytes long.
 Data: <&#208;&#169;&#217;&#154;!           > D0 A9 D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002219AD99E20, 16 bytes long.
 Data: <&#168;&#169;&#217;&#154;!           > A8 A9 D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002219AD8F7B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002219AD9A3C0, 16 bytes long.
 Data: < &#169;&#217;&#154;!           > 80 A9 D9 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002219AD9A980, 992 bytes long.
 Data: <&#192;&#163;&#217;&#154;!   &#176;&#247;&#216;&#154;!   > C0 A3 D9 9A 21 02 00 00 B0 F7 D8 9A 21 02 00 00 
{94} normal block at 0x000002219AD8F630, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002219AD8DCC0, 16 bytes long.
 Data: <&#176;&#215;&#215;&#154;!           > B0 D7 D7 9A 21 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002219AD7D7B0, 40 bytes long.
 Data: <&#192;&#220;&#216;&#154;!   0&#246;&#216;&#154;!   > C0 DC D8 9A 21 02 00 00 30 F6 D8 9A 21 02 00 00 
{71} normal block at 0x000002219AD8D4F0, 16 bytes long.
 Data: < &#234;:&#161;&#246;           > 80 EA 3A A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002219AD8D220, 16 bytes long.
 Data: <@&#233;:&#161;&#246;           > 40 E9 3A A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002219AD8D1D0, 16 bytes long.
 Data: <&#248;W7&#161;&#246;           > F8 57 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002219AD8D7C0, 16 bytes long.
 Data: <&#216;W7&#161;&#246;           > D8 57 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002219AD8D770, 16 bytes long.
 Data: <P 7&#161;&#246;           > 50 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002219AD8DB30, 16 bytes long.
 Data: <0 7&#161;&#246;           > 30 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002219AD8D720, 16 bytes long.
 Data: <&#224; 7&#161;&#246;           > E0 02 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002219AD8D360, 16 bytes long.
 Data: <  7&#161;&#246;           > 10 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002219AD8DA40, 16 bytes long.
 Data: <p 7&#161;&#246;           > 70 04 37 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002219AD8D810, 16 bytes long.
 Data: < &#192;5&#161;&#246;           > 18 C0 35 A1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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