Task 38678161

Name test_245-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND6089_0
Workunit 31619997
Created 26 Oct 2026, 16:32:50 UTC
Sent 26 Oct 2026, 16:32:54 UTC
Report deadline 31 Oct 2026, 16:32:54 UTC
Received 26 Oct 2026, 17:08:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654879
Run time 17 min 11 sec
CPU time 16 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 84,053.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.36 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:51:05 (27612): wrapper (7.9.26016): starting
17:51:05 (27612): 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
17:51:06 (27612): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:51:06 (27612): 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\3\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\3\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
18:07:54 (27612): C:/Windows/system32/cmd.exe exited; CPU time 998.328125
18:07:54 (27612): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 16587715 bytes.
Dumping objects ->
{3835018} normal block at 0x00000221D7B6E350, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835007} normal block at 0x00000221D7B6E430, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834996} normal block at 0x00000221D7B6E660, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3834985} normal block at 0x00000221D7B6E970, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3834974} normal block at 0x00000221D5E95B60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3834943} normal block at 0x00000221D7BB8C10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3834930} normal block at 0x00000221D5E8EB10, 8 bytes long.
 Data: <  %&#214;!   > 00 00 25 D6 21 02 00 00 
{3833961} normal block at 0x00000221D5E8E700, 8 bytes long.
 Data: < R&#233;&#213;!   > 80 52 E9 D5 21 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000221D5E92240, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000221D5E876B0, 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 0x00000221D5E96D70, 16 bytes long.
 Data: < z&#233;&#213;!           > 18 7A E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000221D5E973B0, 16 bytes long.
 Data: <&#240;y&#233;&#213;!           > F0 79 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000221D5E8FE10, 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 0x00000221D5E969B0, 16 bytes long.
 Data: <&#200;y&#233;&#213;!           > C8 79 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000221D5E97450, 16 bytes long.
 Data: <&#160;y&#233;&#213;!           > A0 79 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000221D5E96FF0, 16 bytes long.
 Data: <xy&#233;&#213;!           > 78 79 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000221D5E975E0, 16 bytes long.
 Data: <Py&#233;&#213;!           > 50 79 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000221D5E95CB0, 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 0x00000221D5E96AF0, 16 bytes long.
 Data: <&#232;b&#233;&#213;!           > E8 62 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000221D5E90650, 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 0x00000221D5E97400, 16 bytes long.
 Data: <&#192;b&#233;&#213;!           > C0 62 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000221D5E97360, 16 bytes long.
 Data: < b&#233;&#213;!           > 98 62 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000221D5E97590, 16 bytes long.
 Data: <pb&#233;&#213;!           > 70 62 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000221D5E96870, 16 bytes long.
 Data: <Hb&#233;&#213;!           > 48 62 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000221D5E974A0, 16 bytes long.
 Data: < b&#233;&#213;!           > 20 62 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000221D5E96C30, 16 bytes long.
 Data: <&#248;a&#233;&#213;!           > F8 61 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000221D5E8FCF0, 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 0x00000221D5E96B40, 16 bytes long.
 Data: <&#208;a&#233;&#213;!           > D0 61 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000221D5E961D0, 320 bytes long.
 Data: <@k&#233;&#213;!   &#240;&#252;&#232;&#213;!   > 40 6B E9 D5 21 02 00 00 F0 FC E8 D5 21 02 00 00 
{276} normal block at 0x00000221D5E96A50, 16 bytes long.
 Data: <0y&#233;&#213;!           > 30 79 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000221D5E97180, 16 bytes long.
 Data: < y&#233;&#213;!           > 08 79 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000221D5E903B0, 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 0x00000221D5E972C0, 16 bytes long.
 Data: <&#224;x&#233;&#213;!           > E0 78 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000221D5E904D0, 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 0x00000221D5E96AA0, 16 bytes long.
 Data: <(x&#233;&#213;!           > 28 78 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000221D5E96910, 16 bytes long.
 Data: < x&#233;&#213;!           > 00 78 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000221D5E96CD0, 16 bytes long.
 Data: <&#216;w&#233;&#213;!           > D8 77 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000221D5E96E10, 16 bytes long.
 Data: <&#176;w&#233;&#213;!           > B0 77 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000221D5E96C80, 16 bytes long.
 Data: < w&#233;&#213;!           > 88 77 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000221D5E97310, 16 bytes long.
 Data: <`w&#233;&#213;!           > 60 77 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000221D5E96FA0, 16 bytes long.
 Data: <0`&#233;&#213;!           > 30 60 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000221D5E96030, 40 bytes long.
 Data: <&#160;o&#233;&#213;!    &#140;&#187;&#215;!   > A0 6F E9 D5 21 02 00 00 10 8C BB D7 21 02 00 00 
{262} normal block at 0x00000221D5E96BE0, 16 bytes long.
 Data: <@w&#233;&#213;!           > 40 77 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000221D5E96A00, 16 bytes long.
 Data: < w&#233;&#213;!           > 18 77 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000221D5E902F0, 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 0x00000221D5E96EB0, 16 bytes long.
 Data: <&#240;v&#233;&#213;!           > F0 76 E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000221D5E976F0, 992 bytes long.
 Data: <&#176;n&#233;&#213;!   &#240; &#233;&#213;!   > B0 6E E9 D5 21 02 00 00 F0 02 E9 D5 21 02 00 00 
{94} normal block at 0x00000221D5E90590, 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 0x00000221D5E8E930, 16 bytes long.
 Data: <@\&#233;&#213;!           > 40 5C E9 D5 21 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000221D5E95C40, 40 bytes long.
 Data: <0&#233;&#232;&#213;!     &#233;&#213;!   > 30 E9 E8 D5 21 02 00 00 90 05 E9 D5 21 02 00 00 
{71} normal block at 0x00000221D5E8E4D0, 16 bytes long.
 Data: < &#234;&#159;7&#247;           > 80 EA 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000221D5E8EA70, 16 bytes long.
 Data: <@&#233;&#159;7&#247;           > 40 E9 9F 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000221D5E8E3E0, 16 bytes long.
 Data: <&#248;W&#156;7&#247;           > F8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000221D5E8EBB0, 16 bytes long.
 Data: <&#216;W&#156;7&#247;           > D8 57 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000221D5E8E250, 16 bytes long.
 Data: <P &#156;7&#247;           > 50 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000221D5E8E2F0, 16 bytes long.
 Data: <0 &#156;7&#247;           > 30 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000221D5E8E070, 16 bytes long.
 Data: <&#224; &#156;7&#247;           > E0 02 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000221D5E8E020, 16 bytes long.
 Data: <  &#156;7&#247;           > 10 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000221D5E8E840, 16 bytes long.
 Data: <p &#156;7&#247;           > 70 04 9C 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000221D5E8EE80, 16 bytes long.
 Data: < &#192;&#154;7&#247;           > 18 C0 9A 37 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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