Task 38678332

Name test_324-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3407_0
Workunit 31620153
Created 26 Oct 2026, 17:03:53 UTC
Sent 26 Oct 2026, 17:04:06 UTC
Report deadline 31 Oct 2026, 17:04:06 UTC
Received 26 Oct 2026, 17:50:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654844
Run time 34 min 44 sec
CPU time 30 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,325.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 677.18 MB
Peak swap size 2.39 GB
Peak disk usage 3.40 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:15:34 (8116): wrapper (7.9.26016): starting
19:15:34 (8116): 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
19:15:36 (8116): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:15:36 (8116): 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 'G:\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 'G:\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
19:48:36 (8116): C:/Windows/system32/cmd.exe exited; CPU time 1832.000000
19:48:36 (8116): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 23964533 bytes.
Dumping objects ->
{3835451} normal block at 0x00000204C0817C60, 48 bytes long.
 Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835440} normal block at 0x00000204C0817BF0, 48 bytes long.
 Data: <HOME=G:\ProgramD> 48 4F 4D 45 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835429} normal block at 0x00000204C0817640, 48 bytes long.
 Data: <TMP=G:\ProgramDa> 54 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835418} normal block at 0x00000204C0817800, 48 bytes long.
 Data: <TEMP=G:\ProgramD> 54 45 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835407} normal block at 0x00000204C08174F0, 48 bytes long.
 Data: <TMPDIR=G:\Progra> 54 4D 50 44 49 52 3D 47 3A 5C 50 72 6F 67 72 61 
{3835376} normal block at 0x00000204C22D4CC0, 64 bytes long.
 Data: <PATH=G:\ProgramD> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x00000204C21F0FC0, 160 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) : {3835362} normal block at 0x00000204C07E7F70, 8 bytes long.
 Data: <  |&#192;    > 00 00 7C C0 04 02 00 00 
{3834641} normal block at 0x00000204C21F0D20, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x00000204C07E7ED0, 8 bytes long.
 Data: <`$3&#194;    > 60 24 33 C2 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000204C07F2060, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000204C07DD050, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x00000204C07F3D20, 16 bytes long.
 Data: <hQ &#192;            > 68 51 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000204C07F3CD0, 16 bytes long.
 Data: <@Q &#192;            > 40 51 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000204C07ED590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x00000204C07F3C30, 16 bytes long.
 Data: < Q &#192;            > 18 51 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000204C07F3780, 16 bytes long.
 Data: <&#240;P &#192;            > F0 50 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000204C07F3AF0, 16 bytes long.
 Data: <&#200;P &#192;            > C8 50 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000204C07F3C80, 16 bytes long.
 Data: <&#160;P &#192;            > A0 50 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000204C07EBF50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x00000204C07F36E0, 16 bytes long.
 Data: <xZ}&#192;            > 78 5A 7D C0 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000204C07ED410, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x00000204C07F3690, 16 bytes long.
 Data: <PZ}&#192;            > 50 5A 7D C0 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000204C07F35F0, 16 bytes long.
 Data: <(Z}&#192;            > 28 5A 7D C0 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000204C07F3730, 16 bytes long.
 Data: < Z}&#192;            > 00 5A 7D C0 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000204C07F35A0, 16 bytes long.
 Data: <&#216;Y}&#192;            > D8 59 7D C0 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000204C07F3AA0, 16 bytes long.
 Data: <&#176;Y}&#192;            > B0 59 7D C0 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000204C07F3410, 16 bytes long.
 Data: < Y}&#192;            > 88 59 7D C0 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000204C07ED350, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x00000204C07F3370, 16 bytes long.
 Data: <`Y}&#192;            > 60 59 7D C0 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000204C07D5960, 320 bytes long.
 Data: <p3 &#192;    P&#211;~&#192;    > 70 33 7F C0 04 02 00 00 50 D3 7E C0 04 02 00 00 
{268} normal block at 0x00000204C07F3A50, 16 bytes long.
 Data: < P &#192;            > 80 50 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000204C07F3A00, 16 bytes long.
 Data: <XP &#192;            > 58 50 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000204C07ECF30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x00000204C07F3910, 16 bytes long.
 Data: <0P &#192;            > 30 50 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000204C07EDDD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x00000204C07F39B0, 16 bytes long.
 Data: <xO &#192;            > 78 4F 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000204C07F31E0, 16 bytes long.
 Data: <PO &#192;            > 50 4F 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000204C07F3820, 16 bytes long.
 Data: <(O &#192;            > 28 4F 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000204C07F32D0, 16 bytes long.
 Data: < O &#192;            > 00 4F 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000204C07F3320, 16 bytes long.
 Data: <&#216;N &#192;            > D8 4E 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000204C07F3230, 16 bytes long.
 Data: <&#176;N &#192;            > B0 4E 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000204C07F3190, 16 bytes long.
 Data: <0&#192;~&#192;            > 30 C0 7E C0 04 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000204C07EC030, 40 bytes long.
 Data: < 1 &#192;    &#192;L-&#194;    > 90 31 7F C0 04 02 00 00 C0 4C 2D C2 04 02 00 00 
{254} normal block at 0x00000204C07F3640, 16 bytes long.
 Data: < N &#192;            > 90 4E 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000204C07F3BE0, 16 bytes long.
 Data: <hN &#192;            > 68 4E 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000204C07EDD70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x00000204C07F30F0, 16 bytes long.
 Data: <@N &#192;            > 40 4E 7F C0 04 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x00000204C07F4E40, 992 bytes long.
 Data: <&#240;0 &#192;    p&#221;~&#192;    > F0 30 7F C0 04 02 00 00 70 DD 7E C0 04 02 00 00 
{86} normal block at 0x00000204C07ED7D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x00000204C07E70C0, 16 bytes long.
 Data: <&#224;&#190;~&#192;            > E0 BE 7E C0 04 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x00000204C07EBEE0, 40 bytes long.
 Data: <&#192;p~&#192;    &#208;&#215;~&#192;    > C0 70 7E C0 04 02 00 00 D0 D7 7E C0 04 02 00 00 
{63} normal block at 0x00000204C07E7110, 16 bytes long.
 Data: < &#234;"&#209;&#246;           > 80 EA 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000204C07E7570, 16 bytes long.
 Data: <@&#233;"&#209;&#246;           > 40 E9 22 D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000204C07E7E80, 16 bytes long.
 Data: <&#248;W &#209;&#246;           > F8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000204C07E7480, 16 bytes long.
 Data: <&#216;W &#209;&#246;           > D8 57 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000204C07E7610, 16 bytes long.
 Data: <P  &#209;&#246;           > 50 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000204C07E7CA0, 16 bytes long.
 Data: <0  &#209;&#246;           > 30 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000204C07E7930, 16 bytes long.
 Data: <&#224;  &#209;&#246;           > E0 02 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000204C07E7890, 16 bytes long.
 Data: <   &#209;&#246;           > 10 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000204C07E7E30, 16 bytes long.
 Data: <p  &#209;&#246;           > 70 04 1F D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000204C07E7F20, 16 bytes long.
 Data: < &#192; &#209;&#246;           > 18 C0 1D D1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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