Task 38687472

Name test_596-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2903_0
Workunit 31628862
Created 28 Oct 2026, 7:59:35 UTC
Sent 28 Oct 2026, 7:59:42 UTC
Report deadline 2 Nov 2026, 7:59:42 UTC
Received 28 Oct 2026, 8:53:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652372
Run time 53 min 2 sec
CPU time 50 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,888.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 889.01 MB
Peak swap size 6.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:01:16 (10080): wrapper (7.9.26016): starting
09:01:16 (10080): 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
09:01:18 (10080): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:01:18 (10080): 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:\ProgramData\BOINC\slots\8\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:\ProgramData\BOINC\slots\8\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
09:53:10 (10080): C:/Windows/system32/cmd.exe exited; CPU time 3049.265625
09:53:10 (10080): 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: 46055805 bytes.
Dumping objects ->
{3835551} normal block at 0x000002126879FD20, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x0000021266C248F0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x0000021266C24880, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835518} normal block at 0x0000021266C247A0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x0000021266C249D0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835476} normal block at 0x0000021268817970, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x000002126882E870, 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) : {3835462} normal block at 0x0000021266C1EA90, 8 bytes long.
 Data: <  &#188;f    > 00 00 BC 66 12 02 00 00 
{3834687} normal block at 0x000002126882F160, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000021266C1E8B0, 8 bytes long.
 Data: <0C&#135;h    > 30 43 87 68 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000021266C21280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000021266C15D10, 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 0x0000021266C25A60, 16 bytes long.
 Data: <Hh&#194;f            > 48 68 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021266C25D30, 16 bytes long.
 Data: < h&#194;f            > 20 68 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000021266C1FAB0, 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 0x0000021266C25C40, 16 bytes long.
 Data: <&#248;g&#194;f            > F8 67 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021266C259C0, 16 bytes long.
 Data: <&#208;g&#194;f            > D0 67 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021266C26280, 16 bytes long.
 Data: <&#168;g&#194;f            > A8 67 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021266C25560, 16 bytes long.
 Data: < g&#194;f            > 80 67 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021266C24C00, 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 0x0000021266C26230, 16 bytes long.
 Data: < &#181;&#192;f            > 88 B5 C0 66 12 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021266C1F9F0, 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 0x0000021266C255B0, 16 bytes long.
 Data: <`&#181;&#192;f            > 60 B5 C0 66 12 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021266C258D0, 16 bytes long.
 Data: <8&#181;&#192;f            > 38 B5 C0 66 12 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021266C25970, 16 bytes long.
 Data: < &#181;&#192;f            > 10 B5 C0 66 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021266C25830, 16 bytes long.
 Data: <&#232;&#180;&#192;f            > E8 B4 C0 66 12 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021266C261E0, 16 bytes long.
 Data: <&#192;&#180;&#192;f            > C0 B4 C0 66 12 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021266C26140, 16 bytes long.
 Data: < &#180;&#192;f            > 98 B4 C0 66 12 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021266C204D0, 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 0x0000021266C256A0, 16 bytes long.
 Data: <p&#180;&#192;f            > 70 B4 C0 66 12 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021266C0B470, 320 bytes long.
 Data: <&#160;V&#194;f    &#208; &#194;f    > A0 56 C2 66 12 02 00 00 D0 04 C2 66 12 02 00 00 
{278} normal block at 0x0000021266C26190, 16 bytes long.
 Data: <`g&#194;f            > 60 67 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021266C25BF0, 16 bytes long.
 Data: <8g&#194;f            > 38 67 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021266C1FF30, 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 0x0000021266C260A0, 16 bytes long.
 Data: < g&#194;f            > 10 67 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021266C20590, 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 0x0000021266C25CE0, 16 bytes long.
 Data: <Xf&#194;f            > 58 66 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021266C25920, 16 bytes long.
 Data: <0f&#194;f            > 30 66 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021266C25790, 16 bytes long.
 Data: < f&#194;f            > 08 66 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021266C263C0, 16 bytes long.
 Data: <&#224;e&#194;f            > E0 65 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021266C25B50, 16 bytes long.
 Data: <&#184;e&#194;f            > B8 65 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021266C260F0, 16 bytes long.
 Data: < e&#194;f            > 90 65 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021266C26410, 16 bytes long.
 Data: <&#176;J&#194;f            > B0 4A C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021266C24AB0, 40 bytes long.
 Data: < d&#194;f    py h    > 10 64 C2 66 12 02 00 00 70 79 81 68 12 02 00 00 
{264} normal block at 0x0000021266C25650, 16 bytes long.
 Data: <pe&#194;f            > 70 65 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021266C25880, 16 bytes long.
 Data: <He&#194;f            > 48 65 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021266C1FFF0, 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 0x0000021266C25F60, 16 bytes long.
 Data: < e&#194;f            > 20 65 C2 66 12 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021266C26520, 992 bytes long.
 Data: <`_&#194;f    &#240;&#255;&#193;f    > 60 5F C2 66 12 02 00 00 F0 FF C1 66 12 02 00 00 
{96} normal block at 0x0000021266C1FED0, 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 0x0000021266C1F170, 16 bytes long.
 Data: <P&#229;&#192;f            > 50 E5 C0 66 12 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000021266C0E550, 40 bytes long.
 Data: <p&#241;&#193;f    &#208;&#254;&#193;f    > 70 F1 C1 66 12 02 00 00 D0 FE C1 66 12 02 00 00 
{73} normal block at 0x0000021266C1F030, 16 bytes long.
 Data: < &#234;s&#154;&#247;           > 80 EA 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021266C1EE00, 16 bytes long.
 Data: <@&#233;s&#154;&#247;           > 40 E9 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021266C1EDB0, 16 bytes long.
 Data: <&#248;Wp&#154;&#247;           > F8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021266C1F120, 16 bytes long.
 Data: <&#216;Wp&#154;&#247;           > D8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021266C1F490, 16 bytes long.
 Data: <P p&#154;&#247;           > 50 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021266C1E9F0, 16 bytes long.
 Data: <0 p&#154;&#247;           > 30 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021266C1EB30, 16 bytes long.
 Data: <&#224; p&#154;&#247;           > E0 02 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021266C1EB80, 16 bytes long.
 Data: <  p&#154;&#247;           > 10 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021266C1F7B0, 16 bytes long.
 Data: <p p&#154;&#247;           > 70 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021266C1EA40, 16 bytes long.
 Data: < &#192;n&#154;&#247;           > 18 C0 6E 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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