Task 38684601

Name test_809-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND3938_0
Workunit 31626109
Created 27 Oct 2026, 17:07:34 UTC
Sent 27 Oct 2026, 17:07:38 UTC
Report deadline 1 Nov 2026, 17:07:38 UTC
Received 27 Oct 2026, 17:23:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652094
Run time 14 min 59 sec
CPU time 14 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 769.96 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
18:08:17 (14564): wrapper (7.9.26016): starting
18:08:17 (14564): 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
18:08:18 (14564): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:08:18 (14564): 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
18:22:42 (14564): C:/Windows/system32/cmd.exe exited; CPU time 853.921875
18:22:42 (14564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 21072836 bytes.
Dumping objects ->
{3835546} normal block at 0x000001AD8AE44AB0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000001AD8AE44A40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000001AD8AE44960, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x000001AD8AE449D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000001AD8AE447A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x000001AD8CAE41A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000001AD8CAFC800, 85 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) : {3835457} normal block at 0x000001AD8AE3EB70, 8 bytes long.
 Data: <  1&#139;&#173;   > 00 00 31 8B AD 01 00 00 
{3834685} normal block at 0x000001AD8CAFD160, 85 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 0x000001AD8AE3F020, 8 bytes long.
 Data: <&#240;K&#180;&#140;&#173;   > F0 4B B4 8C AD 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001AD8AE40EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001AD8AE367B0, 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 0x000001AD8AE45D50, 16 bytes long.
 Data: <He&#228;&#138;&#173;           > 48 65 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001AD8AE457B0, 16 bytes long.
 Data: < e&#228;&#138;&#173;           > 20 65 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001AD8AE405C0, 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 0x000001AD8AE45A80, 16 bytes long.
 Data: <&#248;d&#228;&#138;&#173;           > F8 64 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001AD8AE45DF0, 16 bytes long.
 Data: <&#208;d&#228;&#138;&#173;           > D0 64 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001AD8AE460C0, 16 bytes long.
 Data: <&#168;d&#228;&#138;&#173;           > A8 64 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AD8AE45D00, 16 bytes long.
 Data: < d&#228;&#138;&#173;           > 80 64 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001AD8AE44C00, 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 0x000001AD8AE45350, 16 bytes long.
 Data: <&#232;&#142;&#227;&#138;&#173;           > E8 8E E3 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AD8AE40440, 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 0x000001AD8AE45490, 16 bytes long.
 Data: <&#192;&#142;&#227;&#138;&#173;           > C0 8E E3 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AD8AE45C10, 16 bytes long.
 Data: < &#142;&#227;&#138;&#173;           > 98 8E E3 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AD8AE46070, 16 bytes long.
 Data: <p&#142;&#227;&#138;&#173;           > 70 8E E3 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AD8AE45E90, 16 bytes long.
 Data: <H&#142;&#227;&#138;&#173;           > 48 8E E3 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001AD8AE45300, 16 bytes long.
 Data: < &#142;&#227;&#138;&#173;           > 20 8E E3 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AD8AE45530, 16 bytes long.
 Data: <&#248; &#227;&#138;&#173;           > F8 8D E3 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001AD8AE40560, 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 0x000001AD8AE458F0, 16 bytes long.
 Data: <&#208; &#227;&#138;&#173;           > D0 8D E3 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AD8AE38DD0, 320 bytes long.
 Data: <&#240;X&#228;&#138;&#173;   ` &#228;&#138;&#173;   > F0 58 E4 8A AD 01 00 00 60 05 E4 8A AD 01 00 00 
{276} normal block at 0x000001AD8AE46020, 16 bytes long.
 Data: <`d&#228;&#138;&#173;           > 60 64 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AD8AE45580, 16 bytes long.
 Data: <8d&#228;&#138;&#173;           > 38 64 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AD8AE3FE40, 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 0x000001AD8AE45FD0, 16 bytes long.
 Data: < d&#228;&#138;&#173;           > 10 64 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AD8AE3F900, 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 0x000001AD8AE45620, 16 bytes long.
 Data: <Xc&#228;&#138;&#173;           > 58 63 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AD8AE45A30, 16 bytes long.
 Data: <0c&#228;&#138;&#173;           > 30 63 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001AD8AE45440, 16 bytes long.
 Data: < c&#228;&#138;&#173;           > 08 63 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AD8AE45F80, 16 bytes long.
 Data: <&#224;b&#228;&#138;&#173;           > E0 62 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AD8AE452B0, 16 bytes long.
 Data: <&#184;b&#228;&#138;&#173;           > B8 62 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001AD8AE45990, 16 bytes long.
 Data: < b&#228;&#138;&#173;           > 90 62 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001AD8AE459E0, 16 bytes long.
 Data: <pL&#228;&#138;&#173;           > 70 4C E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AD8AE44C70, 40 bytes long.
 Data: <&#224;Y&#228;&#138;&#173;   &#160;A&#174;&#140;&#173;   > E0 59 E4 8A AD 01 00 00 A0 41 AE 8C AD 01 00 00 
{262} normal block at 0x000001AD8AE45800, 16 bytes long.
 Data: <pb&#228;&#138;&#173;           > 70 62 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AD8AE45260, 16 bytes long.
 Data: <Hb&#228;&#138;&#173;           > 48 62 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AD8AE3FBA0, 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 0x000001AD8AE458A0, 16 bytes long.
 Data: < b&#228;&#138;&#173;           > 20 62 E4 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001AD8AE46220, 992 bytes long.
 Data: <&#160;X&#228;&#138;&#173;   &#160;&#251;&#227;&#138;&#173;   > A0 58 E4 8A AD 01 00 00 A0 FB E3 8A AD 01 00 00 
{94} normal block at 0x000001AD8AE3FCC0, 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 0x000001AD8AE3EF30, 16 bytes long.
 Data: <0&#238;&#226;&#138;&#173;           > 30 EE E2 8A AD 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001AD8AE2EE30, 40 bytes long.
 Data: <0&#239;&#227;&#138;&#173;   &#192;&#252;&#227;&#138;&#173;   > 30 EF E3 8A AD 01 00 00 C0 FC E3 8A AD 01 00 00 
{71} normal block at 0x000001AD8AE3F0C0, 16 bytes long.
 Data: < &#234;w&#175;&#247;           > 80 EA 77 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001AD8AE3EE90, 16 bytes long.
 Data: <@&#233;w&#175;&#247;           > 40 E9 77 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001AD8AE3F110, 16 bytes long.
 Data: <&#248;Wt&#175;&#247;           > F8 57 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001AD8AE3E710, 16 bytes long.
 Data: <&#216;Wt&#175;&#247;           > D8 57 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001AD8AE3F480, 16 bytes long.
 Data: <P t&#175;&#247;           > 50 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001AD8AE3EE40, 16 bytes long.
 Data: <0 t&#175;&#247;           > 30 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001AD8AE3F3E0, 16 bytes long.
 Data: <&#224; t&#175;&#247;           > E0 02 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001AD8AE3F160, 16 bytes long.
 Data: <  t&#175;&#247;           > 10 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AD8AE3EDF0, 16 bytes long.
 Data: <p t&#175;&#247;           > 70 04 74 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AD8AE3E9E0, 16 bytes long.
 Data: < &#192;r&#175;&#247;           > 18 C0 72 AF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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