Task 38676718

Name test_889-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4358_0
Workunit 31618618
Created 26 Oct 2026, 12:07:47 UTC
Sent 26 Oct 2026, 12:08:03 UTC
Report deadline 31 Oct 2026, 12:08:03 UTC
Received 26 Oct 2026, 12:30:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 22 min 13 sec
CPU time 19 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 112,285.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 760.61 MB
Peak swap size 13.26 GB
Peak disk usage 3.93 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:09:55 (31488): wrapper (7.9.26016): starting
12:09:55 (31488): 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
12:09:56 (31488): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:09:56 (31488): 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 'D:\Boinc\data\slots\5\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 'D:\Boinc\data\slots\5\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
12:30:36 (31488): C:/Windows/system32/cmd.exe exited; CPU time 1185.171875
12:30:36 (31488): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 27216246 bytes.
Dumping objects ->
{3835279} normal block at 0x000002814B154B50, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835268} normal block at 0x000002814CFF6C00, 32 bytes long.
 Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835257} normal block at 0x000002814CFF7260, 32 bytes long.
 Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74 
{3835246} normal block at 0x000002814CFF70E0, 32 bytes long.
 Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835235} normal block at 0x000002814CFF6CC0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835204} normal block at 0x000002814B154AE0, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835193} normal block at 0x000002814CFBC4E0, 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) : {3835190} normal block at 0x000002814B14EDD0, 8 bytes long.
 Data: <  _K    > 00 00 5F 4B 81 02 00 00 
{3834567} normal block at 0x000002814CFBD980, 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 0x000002814B14F550, 8 bytes long.
 Data: <&#208;&#234;&#235;L    > D0 EA EB 4C 81 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002814B151020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002814B1464D0, 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 0x000002814B155560, 16 bytes long.
 Data: <xe K            > 78 65 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002814B1554C0, 16 bytes long.
 Data: <Pe K            > 50 65 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002814B150230, 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 0x000002814B155510, 16 bytes long.
 Data: <(e K            > 28 65 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002814B156000, 16 bytes long.
 Data: < e K            > 00 65 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002814B155420, 16 bytes long.
 Data: <&#216;d K            > D8 64 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002814B155830, 16 bytes long.
 Data: <&#176;d K            > B0 64 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002814B1546F0, 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 0x000002814B155790, 16 bytes long.
 Data: <x  K            > 78 8F 14 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002814B1503B0, 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 0x000002814B1553D0, 16 bytes long.
 Data: <P  K            > 50 8F 14 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002814B155D80, 16 bytes long.
 Data: <(  K            > 28 8F 14 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002814B155F60, 16 bytes long.
 Data: <   K            > 00 8F 14 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002814B155AB0, 16 bytes long.
 Data: <&#216;&#142; K            > D8 8E 14 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002814B155B00, 16 bytes long.
 Data: <&#176;&#142; K            > B0 8E 14 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002814B155380, 16 bytes long.
 Data: < &#142; K            > 88 8E 14 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002814B14FAB0, 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 0x000002814B155330, 16 bytes long.
 Data: <`&#142; K            > 60 8E 14 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002814B148E60, 320 bytes long.
 Data: <0S K    &#176;&#250; K    > 30 53 15 4B 81 02 00 00 B0 FA 14 4B 81 02 00 00 
{276} normal block at 0x000002814B155E20, 16 bytes long.
 Data: < d K            > 90 64 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002814B1556F0, 16 bytes long.
 Data: <hd K            > 68 64 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002814B14FFF0, 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 0x000002814B155920, 16 bytes long.
 Data: <@d K            > 40 64 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002814B14FF90, 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 0x000002814B1552E0, 16 bytes long.
 Data: < c K            > 88 63 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002814B155FB0, 16 bytes long.
 Data: <`c K            > 60 63 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002814B1555B0, 16 bytes long.
 Data: <8c K            > 38 63 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002814B1558D0, 16 bytes long.
 Data: < c K            > 10 63 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002814B155290, 16 bytes long.
 Data: <&#232;b K            > E8 62 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002814B155970, 16 bytes long.
 Data: <&#192;b K            > C0 62 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002814B155F10, 16 bytes long.
 Data: <@H K            > 40 48 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002814B154840, 40 bytes long.
 Data: < _ K    &#224;J K    > 10 5F 15 4B 81 02 00 00 E0 4A 15 4B 81 02 00 00 
{262} normal block at 0x000002814B155470, 16 bytes long.
 Data: <&#160;b K            > A0 62 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002814B156190, 16 bytes long.
 Data: <xb K            > 78 62 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002814B14FD50, 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 0x000002814B155E70, 16 bytes long.
 Data: <Pb K            > 50 62 15 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002814B156250, 992 bytes long.
 Data: <p^ K    P&#253; K    > 70 5E 15 4B 81 02 00 00 50 FD 14 4B 81 02 00 00 
{94} normal block at 0x000002814B1501D0, 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 0x000002814B14F3C0, 16 bytes long.
 Data: <&#176;&#229; K            > B0 E5 14 4B 81 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002814B14E5B0, 40 bytes long.
 Data: <&#192;&#243; K    &#208;  K    > C0 F3 14 4B 81 02 00 00 D0 01 15 4B 81 02 00 00 
{71} normal block at 0x000002814B14EC90, 16 bytes long.
 Data: < &#234;P&#197;&#247;           > 80 EA 50 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002814B14F370, 16 bytes long.
 Data: <@&#233;P&#197;&#247;           > 40 E9 50 C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002814B14EEC0, 16 bytes long.
 Data: <&#248;WM&#197;&#247;           > F8 57 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002814B14E970, 16 bytes long.
 Data: <&#216;WM&#197;&#247;           > D8 57 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002814B14F280, 16 bytes long.
 Data: <P M&#197;&#247;           > 50 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002814B14EC40, 16 bytes long.
 Data: <0 M&#197;&#247;           > 30 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002814B14F140, 16 bytes long.
 Data: <&#224; M&#197;&#247;           > E0 02 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002814B14F320, 16 bytes long.
 Data: <  M&#197;&#247;           > 10 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002814B14EB50, 16 bytes long.
 Data: <p M&#197;&#247;           > 70 04 4D C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002814B14F0A0, 16 bytes long.
 Data: < &#192;K&#197;&#247;           > 18 C0 4B C5 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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