Task 38676894

Name test_268-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND1668_0
Workunit 31618785
Created 26 Oct 2026, 12:39:40 UTC
Sent 26 Oct 2026, 12:39:44 UTC
Report deadline 31 Oct 2026, 12:39:44 UTC
Received 26 Oct 2026, 13:40:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 575233
Run time 29 min 14 sec
CPU time 28 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,247.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 711.74 MB
Peak swap size 9.79 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
14:11:35 (64276): wrapper (7.9.26016): starting
14:11:35 (64276): 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
14:11:37 (64276): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:11:37 (64276): 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 'D:\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 'D:\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
14:39:37 (64276): C:/Windows/system32/cmd.exe exited; CPU time 1680.796875
14:39:37 (64276): 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: 37400723 bytes.
Dumping objects ->
{3835278} normal block at 0x000001D05ADB6CD0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001D05ADB6D40, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835256} normal block at 0x000001D058FC76F0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835245} normal block at 0x000001D058FC7680, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001D058FC7610, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835203} normal block at 0x000001D05AD59A90, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835190} normal block at 0x000001D058FBB310, 8 bytes long.
 Data: <  &#248;X&#208;   > 00 00 F8 58 D0 01 00 00 
{3833975} normal block at 0x000001D058FBAD20, 8 bytes long.
 Data: <`&#230;&#198;Z&#208;   > 60 E6 C6 5A D0 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001D058FC26E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001D058FB72D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x000001D058FC7F50, 16 bytes long.
 Data: <&#184; &#252;X&#208;           > B8 8F FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D058FC8180, 16 bytes long.
 Data: <  &#252;X&#208;           > 90 8F FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001D058FBEAB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x000001D058FC80E0, 16 bytes long.
 Data: <h &#252;X&#208;           > 68 8F FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D058FC7F00, 16 bytes long.
 Data: <@ &#252;X&#208;           > 40 8F FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D058FC8630, 16 bytes long.
 Data: <  &#252;X&#208;           > 18 8F FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D058FC8A40, 16 bytes long.
 Data: <&#240;&#142;&#252;X&#208;           > F0 8E FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D058FC78B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x000001D058FC84F0, 16 bytes long.
 Data: <&#200;&#151;&#251;X&#208;           > C8 97 FB 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D058FBEA50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x000001D058FC7E10, 16 bytes long.
 Data: <&#160;&#151;&#251;X&#208;           > A0 97 FB 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D058FC7EB0, 16 bytes long.
 Data: <x&#151;&#251;X&#208;           > 78 97 FB 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D058FC7CD0, 16 bytes long.
 Data: <P&#151;&#251;X&#208;           > 50 97 FB 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D058FC89F0, 16 bytes long.
 Data: <(&#151;&#251;X&#208;           > 28 97 FB 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D058FC8950, 16 bytes long.
 Data: < &#151;&#251;X&#208;           > 00 97 FB 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D058FC8310, 16 bytes long.
 Data: <&#216;&#150;&#251;X&#208;           > D8 96 FB 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D058FBEF30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x000001D058FC84A0, 16 bytes long.
 Data: <&#176;&#150;&#251;X&#208;           > B0 96 FB 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D058FB96B0, 320 bytes long.
 Data: <&#160;&#132;&#252;X&#208;   0&#239;&#251;X&#208;   > A0 84 FC 58 D0 01 00 00 30 EF FB 58 D0 01 00 00 
{283} normal block at 0x000001D058FC8360, 16 bytes long.
 Data: <&#208;&#142;&#252;X&#208;           > D0 8E FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D058FC8C20, 16 bytes long.
 Data: <&#168;&#142;&#252;X&#208;           > A8 8E FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D058FBE9F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x000001D058FC88B0, 16 bytes long.
 Data: < &#142;&#252;X&#208;           > 80 8E FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D058FBF5F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x000001D058FC8450, 16 bytes long.
 Data: <&#200; &#252;X&#208;           > C8 8D FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D058FC8900, 16 bytes long.
 Data: <&#160; &#252;X&#208;           > A0 8D FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D058FC8BD0, 16 bytes long.
 Data: <x &#252;X&#208;           > 78 8D FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D058FC8860, 16 bytes long.
 Data: <P &#252;X&#208;           > 50 8D FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D058FC8270, 16 bytes long.
 Data: <( &#252;X&#208;           > 28 8D FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D058FC8A90, 16 bytes long.
 Data: <  &#252;X&#208;           > 00 8D FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D058FC8B80, 16 bytes long.
 Data: <`w&#252;X&#208;           > 60 77 FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D058FC7760, 40 bytes long.
 Data: < &#139;&#252;X&#208;    &#154;&#213;Z&#208;   > 80 8B FC 58 D0 01 00 00 90 9A D5 5A D0 01 00 00 
{269} normal block at 0x000001D058FC7DC0, 16 bytes long.
 Data: <&#224;&#140;&#252;X&#208;           > E0 8C FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D058FC7D70, 16 bytes long.
 Data: <&#184;&#140;&#252;X&#208;           > B8 8C FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D058FBE930, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x000001D058FC7D20, 16 bytes long.
 Data: < &#140;&#252;X&#208;           > 90 8C FC 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D058FC8C90, 992 bytes long.
 Data: < }&#252;X&#208;   0&#233;&#251;X&#208;   > 20 7D FC 58 D0 01 00 00 30 E9 FB 58 D0 01 00 00 
{101} normal block at 0x000001D058FBF710, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000001D058FBB130, 16 bytes long.
 Data: <&#208;&#247;&#250;X&#208;           > D0 F7 FA 58 D0 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000001D058FAF7D0, 40 bytes long.
 Data: <0&#177;&#251;X&#208;    &#247;&#251;X&#208;   > 30 B1 FB 58 D0 01 00 00 10 F7 FB 58 D0 01 00 00 
{78} normal block at 0x000001D058FBACD0, 16 bytes long.
 Data: < &#234;)n&#247;           > 80 EA 29 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001D058FBB5E0, 16 bytes long.
 Data: <@&#233;)n&#247;           > 40 E9 29 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001D058FBB3B0, 16 bytes long.
 Data: <&#248;W&n&#247;           > F8 57 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001D058FBAC80, 16 bytes long.
 Data: <&#216;W&n&#247;           > D8 57 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D058FBB0E0, 16 bytes long.
 Data: <P &n&#247;           > 50 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D058FBB770, 16 bytes long.
 Data: <0 &n&#247;           > 30 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D058FBB590, 16 bytes long.
 Data: <&#224; &n&#247;           > E0 02 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D058FBABE0, 16 bytes long.
 Data: <  &n&#247;           > 10 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D058FBAAA0, 16 bytes long.
 Data: <p &n&#247;           > 70 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D058FBAB90, 16 bytes long.
 Data: < &#192;$n&#247;           > 18 C0 24 6E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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