Task 38676242

Name test_462-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND2698_0
Workunit 31618170
Created 26 Oct 2026, 10:42:46 UTC
Sent 26 Oct 2026, 10:42:50 UTC
Report deadline 31 Oct 2026, 10:42:50 UTC
Received 26 Oct 2026, 12:12:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652544
Run time 45 min 1 sec
CPU time 42 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 17,076.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.55 MB
Peak swap size 12.91 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:28:38 (61660): wrapper (7.9.26016): starting
12:28:38 (61660): 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
12:28:40 (61660): Library/usr/bin/tar.exe exited; CPU time 0.031250
12:28:40 (61660): 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\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 'C:\ProgramData\BOINC\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
13:11:26 (61660): C:/Windows/system32/cmd.exe exited; CPU time 2545.671875
13:11:26 (61660): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 66275785 bytes.
Dumping objects ->
{3835258} normal block at 0x00000132FCC90B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x00000132FCC90D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000132FCC915D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835225} normal block at 0x00000132FCC90CA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835214} normal block at 0x00000132FCC91170, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835183} normal block at 0x00000132FCD3BBA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x00000132FCD12950, 141 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) : {3835169} normal block at 0x00000132FB0B5A60, 8 bytes long.
 Data: <  &#161;&#252;2   > 00 00 A1 FC 32 01 00 00 
{3834553} normal block at 0x00000132FCD12D60, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x00000132FB0B5E70, 8 bytes long.
 Data: < &#170; &#251;2   > 80 AA 0A FB 32 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000132FB0C0BF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000132FB0C1B30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x00000132FB0C1D70, 16 bytes long.
 Data: < / &#251;2           > 18 2F 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000132FB0C2180, 16 bytes long.
 Data: <&#240;. &#251;2           > F0 2E 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000132FB0BC590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x00000132FB0C2AE0, 16 bytes long.
 Data: <&#200;. &#251;2           > C8 2E 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000132FB0C24F0, 16 bytes long.
 Data: <&#160;. &#251;2           > A0 2E 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000132FB0C1D20, 16 bytes long.
 Data: <x. &#251;2           > 78 2E 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000132FB0C25E0, 16 bytes long.
 Data: <P. &#251;2           > 50 2E 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000132FB0BA240, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x00000132FB0C2630, 16 bytes long.
 Data: <&#200;  &#251;2           > C8 1A 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000132FB0BBD50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x00000132FB0C2770, 16 bytes long.
 Data: <&#160;  &#251;2           > A0 1A 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000132FB0C2130, 16 bytes long.
 Data: <x  &#251;2           > 78 1A 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000132FB0C2540, 16 bytes long.
 Data: <P  &#251;2           > 50 1A 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000132FB0C2720, 16 bytes long.
 Data: <(  &#251;2           > 28 1A 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000132FB0C1CD0, 16 bytes long.
 Data: <   &#251;2           > 00 1A 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000132FB0C1FF0, 16 bytes long.
 Data: <&#216;  &#251;2           > D8 19 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000132FB0BBAB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x00000132FB0C20E0, 16 bytes long.
 Data: <&#176;  &#251;2           > B0 19 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000132FB0C19B0, 320 bytes long.
 Data: <&#224;  &#251;2   &#176;&#186; &#251;2   > E0 20 0C FB 32 01 00 00 B0 BA 0B FB 32 01 00 00 
{269} normal block at 0x00000132FB0C26D0, 16 bytes long.
 Data: <0. &#251;2           > 30 2E 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000132FB0C2040, 16 bytes long.
 Data: < . &#251;2           > 08 2E 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000132FB0BC0B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x00000132FB0C1FA0, 16 bytes long.
 Data: <&#224;- &#251;2           > E0 2D 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000132FB0BBF30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x00000132FB0C2590, 16 bytes long.
 Data: <(- &#251;2           > 28 2D 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000132FB0C2950, 16 bytes long.
 Data: < - &#251;2           > 00 2D 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000132FB0C2810, 16 bytes long.
 Data: <&#216;, &#251;2           > D8 2C 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000132FB0C1F50, 16 bytes long.
 Data: <&#176;, &#251;2           > B0 2C 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000132FB0C24A0, 16 bytes long.
 Data: < , &#251;2           > 88 2C 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000132FB0C1C80, 16 bytes long.
 Data: <`, &#251;2           > 60 2C 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000132FB0C2A40, 16 bytes long.
 Data: < &#164; &#251;2           > 00 A4 0B FB 32 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000132FB0BA400, 40 bytes long.
 Data: <@* &#251;2   &#160;&#187;&#211;&#252;2   > 40 2A 0C FB 32 01 00 00 A0 BB D3 FC 32 01 00 00 
{255} normal block at 0x00000132FB0C2B80, 16 bytes long.
 Data: <@, &#251;2           > 40 2C 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000132FB0C2450, 16 bytes long.
 Data: < , &#251;2           > 18 2C 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000132FB0BBE10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x00000132FB0C1E10, 16 bytes long.
 Data: <&#240;+ &#251;2           > F0 2B 0C FB 32 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000132FB0C2BF0, 992 bytes long.
 Data: <   &#251;2    &#190; &#251;2   > 10 1E 0C FB 32 01 00 00 10 BE 0B FB 32 01 00 00 
{87} normal block at 0x00000132FB0BC050, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x00000132FB0B56A0, 16 bytes long.
 Data: <p&#164; &#251;2           > 70 A4 0B FB 32 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000132FB0BA470, 40 bytes long.
 Data: <&#160;V &#251;2   P&#192; &#251;2   > A0 56 0B FB 32 01 00 00 50 C0 0B FB 32 01 00 00 
{64} normal block at 0x00000132FB0B6050, 16 bytes long.
 Data: < &#234; &#202;&#246;           > 80 EA 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000132FB0B5F60, 16 bytes long.
 Data: <@&#233; &#202;&#246;           > 40 E9 90 CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000132FB0B5F10, 16 bytes long.
 Data: <&#248;W &#202;&#246;           > F8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000132FB0B57E0, 16 bytes long.
 Data: <&#216;W &#202;&#246;           > D8 57 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000132FB0B5650, 16 bytes long.
 Data: <P  &#202;&#246;           > 50 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000132FB0B5790, 16 bytes long.
 Data: <0  &#202;&#246;           > 30 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000132FB0B5420, 16 bytes long.
 Data: <&#224;  &#202;&#246;           > E0 02 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000132FB0B5A10, 16 bytes long.
 Data: <   &#202;&#246;           > 10 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000132FB0B56F0, 16 bytes long.
 Data: <p  &#202;&#246;           > 70 04 8D CA F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000132FB0B5600, 16 bytes long.
 Data: < &#192;&#139;&#202;&#246;           > 18 C0 8B CA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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