Task 38680106

Name test_566-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND6042_1
Workunit 31621838
Created 26 Oct 2026, 22:50:27 UTC
Sent 26 Oct 2026, 22:50:27 UTC
Report deadline 31 Oct 2026, 22:50:27 UTC
Received 26 Oct 2026, 23:20:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648521
Run time 25 min 31 sec
CPU time 23 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,690.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.07 MB
Peak swap size 9.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:53:19 (5952): wrapper (7.9.26016): starting
18:53:19 (5952): 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
18:53:21 (5952): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:53:21 (5952): 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\1\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\1\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
19:18:03 (5952): C:/Windows/system32/cmd.exe exited; CPU time 1398.640625
19:18:03 (5952): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 22620151 bytes.
Dumping objects ->
{3835280} normal block at 0x00000186FDFD4A90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x00000186FDFD46A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x00000186FDFD4630, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x00000186FDFD45C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000186FDFD4A20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x00000186FFD273E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000186FE02D670, 140 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) : {3835191} normal block at 0x00000186FDFCF210, 8 bytes long.
 Data: <  &#228;&#255;&#134;   > 00 00 E4 FF 86 01 00 00 
{3834567} normal block at 0x00000186FE02D400, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000186FDFCE810, 8 bytes long.
 Data: <07&#216;&#255;&#134;   > 30 37 D8 FF 86 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000186FDFD0470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000186FDFC6410, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000186FDFD56F0, 16 bytes long.
 Data: < U&#253;&#253;&#134;           > 08 55 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000186FDFD6370, 16 bytes long.
 Data: <&#224;T&#253;&#253;&#134;           > E0 54 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000186FDFD01E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000186FDFD5C90, 16 bytes long.
 Data: <&#184;T&#253;&#253;&#134;           > B8 54 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000186FDFD56A0, 16 bytes long.
 Data: < T&#253;&#253;&#134;           > 90 54 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000186FDFD6230, 16 bytes long.
 Data: <hT&#253;&#253;&#134;           > 68 54 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000186FDFD61E0, 16 bytes long.
 Data: <@T&#253;&#253;&#134;           > 40 54 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000186FDFD49B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000186FDFD5D80, 16 bytes long.
 Data: <&#168;&#142;&#252;&#253;&#134;           > A8 8E FC FD 86 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000186FDFCFBE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000186FDFD5BA0, 16 bytes long.
 Data: < &#142;&#252;&#253;&#134;           > 80 8E FC FD 86 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000186FDFD5FB0, 16 bytes long.
 Data: <X&#142;&#252;&#253;&#134;           > 58 8E FC FD 86 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000186FDFD5F10, 16 bytes long.
 Data: <0&#142;&#252;&#253;&#134;           > 30 8E FC FD 86 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000186FDFD5650, 16 bytes long.
 Data: < &#142;&#252;&#253;&#134;           > 08 8E FC FD 86 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000186FDFD62D0, 16 bytes long.
 Data: <&#224; &#252;&#253;&#134;           > E0 8D FC FD 86 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000186FDFD6410, 16 bytes long.
 Data: <&#184; &#252;&#253;&#134;           > B8 8D FC FD 86 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000186FDFCFA00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000186FDFD60A0, 16 bytes long.
 Data: <  &#252;&#253;&#134;           > 90 8D FC FD 86 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000186FDFC8D90, 320 bytes long.
 Data: <&#160;`&#253;&#253;&#134;    &#250;&#252;&#253;&#134;   > A0 60 FD FD 86 01 00 00 00 FA FC FD 86 01 00 00 
{273} normal block at 0x00000186FDFD6190, 16 bytes long.
 Data: < T&#253;&#253;&#134;           > 20 54 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000186FDFD5DD0, 16 bytes long.
 Data: <&#248;S&#253;&#253;&#134;           > F8 53 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000186FDFD00C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000186FDFD5F60, 16 bytes long.
 Data: <&#208;S&#253;&#253;&#134;           > D0 53 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000186FDFCF5E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000186FDFD60F0, 16 bytes long.
 Data: < S&#253;&#253;&#134;           > 18 53 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000186FDFD5920, 16 bytes long.
 Data: <&#240;R&#253;&#253;&#134;           > F0 52 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000186FDFD59C0, 16 bytes long.
 Data: <&#200;R&#253;&#253;&#134;           > C8 52 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000186FDFD64B0, 16 bytes long.
 Data: <&#160;R&#253;&#253;&#134;           > A0 52 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000186FDFD6140, 16 bytes long.
 Data: <xR&#253;&#253;&#134;           > 78 52 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000186FDFCEE50, 16 bytes long.
 Data: <PR&#253;&#253;&#134;           > 50 52 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000186FDFCECC0, 16 bytes long.
 Data: < G&#253;&#253;&#134;           > 80 47 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000186FDFD4780, 40 bytes long.
 Data: <&#192;&#236;&#252;&#253;&#134;   &#224;s&#210;&#255;&#134;   > C0 EC FC FD 86 01 00 00 E0 73 D2 FF 86 01 00 00 
{259} normal block at 0x00000186FDFCEC20, 16 bytes long.
 Data: <0R&#253;&#253;&#134;           > 30 52 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000186FDFCEBD0, 16 bytes long.
 Data: < R&#253;&#253;&#134;           > 08 52 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000186FDFD0000, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000186FDFCEA90, 16 bytes long.
 Data: <&#224;Q&#253;&#253;&#134;           > E0 51 FD FD 86 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000186FDFD51E0, 992 bytes long.
 Data: < &#234;&#252;&#253;&#134;     &#253;&#253;&#134;   > 90 EA FC FD 86 01 00 00 00 00 FD FD 86 01 00 00 
{91} normal block at 0x00000186FDFD02A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000186FDFCE900, 16 bytes long.
 Data: <P&#220;&#251;&#253;&#134;           > 50 DC FB FD 86 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000186FDFBDC50, 40 bytes long.
 Data: < &#233;&#252;&#253;&#134;   &#160; &#253;&#253;&#134;   > 00 E9 FC FD 86 01 00 00 A0 02 FD FD 86 01 00 00 
{68} normal block at 0x00000186FDFCEFE0, 16 bytes long.
 Data: < &#234;H{&#247;           > 80 EA 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000186FDFCED60, 16 bytes long.
 Data: <@&#233;H{&#247;           > 40 E9 48 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000186FDFCEDB0, 16 bytes long.
 Data: <&#248;WE{&#247;           > F8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000186FDFCF2B0, 16 bytes long.
 Data: <&#216;WE{&#247;           > D8 57 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000186FDFCF1C0, 16 bytes long.
 Data: <P E{&#247;           > 50 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000186FDFCE9A0, 16 bytes long.
 Data: <0 E{&#247;           > 30 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000186FDFCED10, 16 bytes long.
 Data: <&#224; E{&#247;           > E0 02 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000186FDFCE8B0, 16 bytes long.
 Data: <  E{&#247;           > 10 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000186FDFCEA40, 16 bytes long.
 Data: <p E{&#247;           > 70 04 45 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000186FDFCE450, 16 bytes long.
 Data: < &#192;C{&#247;           > 18 C0 43 7B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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