Task 38678895

Name test_417-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8144_0
Workunit 31620699
Created 26 Oct 2026, 18:50:54 UTC
Sent 26 Oct 2026, 18:50:55 UTC
Report deadline 31 Oct 2026, 18:50:55 UTC
Received 26 Oct 2026, 19:18:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 21 min 28 sec
CPU time 20 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.72 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
14:53:08 (23912): wrapper (7.9.26016): starting
14:53:08 (23912): 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
14:53:09 (23912): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:53:09 (23912): 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\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 'C:\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
15:14:38 (23912): C:/Windows/system32/cmd.exe exited; CPU time 1238.125000
15:14:38 (23912): 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: 22430927 bytes.
Dumping objects ->
{3835256} normal block at 0x0000026A4CC88C30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x0000026A4CC883E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000026A4CC88450, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x0000026A4CC88990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000026A4CC88760, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x0000026A4E9DFFB0, 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) : {3835168} normal block at 0x0000026A4CC5C280, 8 bytes long.
 Data: <  &#188;Lj   > 00 00 BC 4C 6A 02 00 00 
{3833967} normal block at 0x0000026A4CC5C3C0, 8 bytes long.
 Data: <&#192;&#226;&#162;Nj   > C0 E2 A2 4E 6A 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000026A4CC2E310, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000026A4CC61780, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000026A4CC65640, 16 bytes long.
 Data: <x_&#198;Lj           > 78 5F C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026A4CC64E70, 16 bytes long.
 Data: <P_&#198;Lj           > 50 5F C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026A4CC55A70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000026A4CC65960, 16 bytes long.
 Data: <(_&#198;Lj           > 28 5F C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026A4CC65140, 16 bytes long.
 Data: < _&#198;Lj           > 00 5F C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026A4CC65A50, 16 bytes long.
 Data: <&#216;^&#198;Lj           > D8 5E C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026A4CC658C0, 16 bytes long.
 Data: <&#176;^&#198;Lj           > B0 5E C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026A4CC5E390, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000026A4CC65500, 16 bytes long.
 Data: <&#184;;&#195;Lj           > B8 3B C3 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026A4CC55830, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000026A4CC655F0, 16 bytes long.
 Data: < ;&#195;Lj           > 90 3B C3 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026A4CC654B0, 16 bytes long.
 Data: <h;&#195;Lj           > 68 3B C3 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026A4CC64CE0, 16 bytes long.
 Data: <@;&#195;Lj           > 40 3B C3 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026A4CC65370, 16 bytes long.
 Data: < ;&#195;Lj           > 18 3B C3 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026A4CC65780, 16 bytes long.
 Data: <&#240;:&#195;Lj           > F0 3A C3 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026A4CC652D0, 16 bytes long.
 Data: <&#200;:&#195;Lj           > C8 3A C3 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026A4CC55470, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000026A4CC65730, 16 bytes long.
 Data: <&#160;:&#195;Lj           > A0 3A C3 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026A4CC33AA0, 320 bytes long.
 Data: <0W&#198;Lj   pT&#197;Lj   > 30 57 C6 4C 6A 02 00 00 70 54 C5 4C 6A 02 00 00 
{279} normal block at 0x0000026A4CC65AA0, 16 bytes long.
 Data: < ^&#198;Lj           > 90 5E C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026A4CC64E20, 16 bytes long.
 Data: <h^&#198;Lj           > 68 5E C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026A4CC55B30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000026A4CC64D30, 16 bytes long.
 Data: <@^&#198;Lj           > 40 5E C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026A4CC558F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000026A4CC64C90, 16 bytes long.
 Data: < ]&#198;Lj           > 88 5D C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026A4CC65460, 16 bytes long.
 Data: <`]&#198;Lj           > 60 5D C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026A4CC65A00, 16 bytes long.
 Data: <8]&#198;Lj           > 38 5D C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026A4CC65BE0, 16 bytes long.
 Data: < ]&#198;Lj           > 10 5D C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026A4CC65190, 16 bytes long.
 Data: <&#232;\&#198;Lj           > E8 5C C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026A4CC653C0, 16 bytes long.
 Data: <&#192;\&#198;Lj           > C0 5C C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026A4CC65320, 16 bytes long.
 Data: < &#227;&#197;Lj           > 20 E3 C5 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026A4CC5E320, 40 bytes long.
 Data: < S&#198;Lj   &#176;&#255; Nj   > 20 53 C6 4C 6A 02 00 00 B0 FF 9D 4E 6A 02 00 00 
{265} normal block at 0x0000026A4CC64DD0, 16 bytes long.
 Data: <&#160;\&#198;Lj           > A0 5C C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026A4CC65910, 16 bytes long.
 Data: <x\&#198;Lj           > 78 5C C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026A4CC55410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000026A4CC65410, 16 bytes long.
 Data: <P\&#198;Lj           > 50 5C C6 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026A4CC65C50, 992 bytes long.
 Data: < T&#198;Lj    T&#197;Lj   > 10 54 C6 4C 6A 02 00 00 10 54 C5 4C 6A 02 00 00 
{97} normal block at 0x0000026A4CC554D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000026A4CC5C1E0, 16 bytes long.
 Data: <`&#232;&#197;Lj           > 60 E8 C5 4C 6A 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000026A4CC5E860, 40 bytes long.
 Data: <&#224;&#193;&#197;Lj   &#208;T&#197;Lj   > E0 C1 C5 4C 6A 02 00 00 D0 54 C5 4C 6A 02 00 00 
{74} normal block at 0x0000026A4CC5BE70, 16 bytes long.
 Data: < &#234;&#167;U&#247;           > 80 EA A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000026A4CC5C870, 16 bytes long.
 Data: <@&#233;&#167;U&#247;           > 40 E9 A7 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000026A4CC5CBE0, 16 bytes long.
 Data: <&#248;W&#164;U&#247;           > F8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026A4CC5C190, 16 bytes long.
 Data: <&#216;W&#164;U&#247;           > D8 57 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026A4CC5CAF0, 16 bytes long.
 Data: <P &#164;U&#247;           > 50 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026A4CC5BEC0, 16 bytes long.
 Data: <0 &#164;U&#247;           > 30 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026A4CC5C500, 16 bytes long.
 Data: <&#224; &#164;U&#247;           > E0 02 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026A4CC5C780, 16 bytes long.
 Data: <  &#164;U&#247;           > 10 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026A4CC5BDD0, 16 bytes long.
 Data: <p &#164;U&#247;           > 70 04 A4 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026A4CC5C050, 16 bytes long.
 Data: < &#192;&#162;U&#247;           > 18 C0 A2 55 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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