Task 38662154

Name test_237-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND0196_0
Workunit 31605425
Created 24 Oct 2026, 18:18:52 UTC
Sent 24 Oct 2026, 18:19:05 UTC
Report deadline 29 Oct 2026, 18:19:05 UTC
Received 24 Oct 2026, 22:36:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 556534
Run time 44 min 22 sec
CPU time 39 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.82 MB
Peak swap size 5.35 GB
Peak disk usage 3.58 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
20:35:44 (23564): wrapper (7.9.26016): starting
20:35:44 (23564): 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
20:35:46 (23564): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:35:47 (23564): 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\4\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\4\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
21:18:00 (23564): C:/Windows/system32/cmd.exe exited; CPU time 2373.093750
21:18:00 (23564): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 59914928 bytes.
Dumping objects ->
{3835369} normal block at 0x0000015127550C30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x0000015127551250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835347} normal block at 0x0000015127551640, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835336} normal block at 0x0000015127550990, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835325} normal block at 0x00000151275515D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835294} normal block at 0x000001512764B5A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835283} normal block at 0x0000015127660A80, 85 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) : {3835280} normal block at 0x0000015125999C50, 8 bytes long.
 Data: <  &#149;%Q   > 00 00 95 25 51 01 00 00 
{3834623} normal block at 0x00000151276615C0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833989} normal block at 0x00000151259999D0, 8 bytes long.
 Data: <`&#235;&#167;%Q   > 60 EB A7 25 51 01 00 00 
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x00000151259A7120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x00000151259A9840, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{310} normal block at 0x00000151259A8C00, 16 bytes long.
 Data: < /&#154;%Q           > 08 2F 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x00000151259A8B60, 16 bytes long.
 Data: <&#224;.&#154;%Q           > E0 2E 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{308} normal block at 0x00000151259A3360, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{307} normal block at 0x00000151259A82F0, 16 bytes long.
 Data: <&#184;.&#154;%Q           > B8 2E 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x00000151259A8390, 16 bytes long.
 Data: < .&#154;%Q           > 90 2E 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000151259A8BB0, 16 bytes long.
 Data: <h.&#154;%Q           > 68 2E 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x00000151259A83E0, 16 bytes long.
 Data: <@.&#154;%Q           > 40 2E 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000151259A4280, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{302} normal block at 0x00000151259A87F0, 16 bytes long.
 Data: < %&#154;%Q           > 18 25 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x00000151259A3960, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{300} normal block at 0x00000151259A8A20, 16 bytes long.
 Data: <&#240;$&#154;%Q           > F0 24 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000151259A7F30, 16 bytes long.
 Data: <&#200;$&#154;%Q           > C8 24 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000151259A81B0, 16 bytes long.
 Data: <&#160;$&#154;%Q           > A0 24 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000151259A8020, 16 bytes long.
 Data: <x$&#154;%Q           > 78 24 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000151259A8DE0, 16 bytes long.
 Data: <P$&#154;%Q           > 50 24 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000151259A8D90, 16 bytes long.
 Data: <($&#154;%Q           > 28 24 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000151259A3300, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{292} normal block at 0x00000151259A86B0, 16 bytes long.
 Data: < $&#154;%Q           > 00 24 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000151259A2400, 320 bytes long.
 Data: <&#176;&#134;&#154;%Q    3&#154;%Q   > B0 86 9A 25 51 01 00 00 00 33 9A 25 51 01 00 00 
{290} normal block at 0x00000151259A82A0, 16 bytes long.
 Data: < .&#154;%Q           > 20 2E 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000151259A7F80, 16 bytes long.
 Data: <&#248;-&#154;%Q           > F8 2D 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000151259A3180, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{287} normal block at 0x00000151259A8660, 16 bytes long.
 Data: <&#208;-&#154;%Q           > D0 2D 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000151259A39C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{285} normal block at 0x00000151259A8700, 16 bytes long.
 Data: < -&#154;%Q           > 18 2D 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000151259A8200, 16 bytes long.
 Data: <&#240;,&#154;%Q           > F0 2C 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000151259A8520, 16 bytes long.
 Data: <&#200;,&#154;%Q           > C8 2C 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000151259A8160, 16 bytes long.
 Data: <&#160;,&#154;%Q           > A0 2C 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000151259A8110, 16 bytes long.
 Data: <x,&#154;%Q           > 78 2C 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000151259A8D40, 16 bytes long.
 Data: <P,&#154;%Q           > 50 2C 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000151259A8980, 16 bytes long.
 Data: <@D&#154;%Q           > 40 44 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000151259A4440, 40 bytes long.
 Data: < &#137;&#154;%Q   &#160;&#181;d'Q   > 80 89 9A 25 51 01 00 00 A0 B5 64 27 51 01 00 00 
{276} normal block at 0x00000151259A8930, 16 bytes long.
 Data: <0,&#154;%Q           > 30 2C 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000151259A8B10, 16 bytes long.
 Data: < ,&#154;%Q           > 08 2C 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000151259A32A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{273} normal block at 0x00000151259A8AC0, 16 bytes long.
 Data: <&#224;+&#154;%Q           > E0 2B 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000151259A2BE0, 992 bytes long.
 Data: <&#192;&#138;&#154;%Q   &#160;2&#154;%Q   > C0 8A 9A 25 51 01 00 00 A0 32 9A 25 51 01 00 00 
{108} normal block at 0x00000151259A3D20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{107} normal block at 0x000001512599A240, 16 bytes long.
 Data: <&#176;D&#154;%Q           > B0 44 9A 25 51 01 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x00000151259A44B0, 40 bytes long.
 Data: <@&#162; %Q    =&#154;%Q   > 40 A2 99 25 51 01 00 00 20 3D 9A 25 51 01 00 00 
{85} normal block at 0x000001512599A470, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000015125999D40, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000015125999BB0, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{82} normal block at 0x000001512599A560, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000001512599A790, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001512599A6F0, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001512599A010, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000015125999E80, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001512599A3D0, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000015125999CF0, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 12 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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