Task 38662545

Name test_992-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND0305_0
Workunit 31605795
Created 24 Oct 2026, 19:37:12 UTC
Sent 24 Oct 2026, 19:38:12 UTC
Report deadline 29 Oct 2026, 19:38:12 UTC
Received 24 Oct 2026, 20:39:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618813
Run time 30 min 47 sec
CPU time 30 min 1 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 86,019.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.91 MB
Peak swap size 13.18 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:41:28 (76156): wrapper (7.9.26016): starting
15:41:28 (76156): 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
15:41:29 (76156): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:41:29 (76156): 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
16:11:24 (76156): C:/Windows/system32/cmd.exe exited; CPU time 1801.937500
16:11:24 (76156): 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: 57327821 bytes.
Dumping objects ->
{3835426} normal block at 0x000001F952BF0990, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x000001F952BF1250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835404} normal block at 0x000001F952BF15D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835393} normal block at 0x000001F952BF0DF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x000001F952BF0A70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835351} normal block at 0x000001F950F1FC30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835340} normal block at 0x000001F950F546C0, 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) : {3835337} normal block at 0x000001F950EEDA20, 8 bytes long.
 Data: <  &#150;R&#249;   > 00 00 96 52 F9 01 00 00 
{3834683} normal block at 0x000001F950F54450, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834035} normal block at 0x000001F950EED840, 8 bytes long.
 Data: < -&#242;P&#249;   > 90 2D F2 50 F9 01 00 00 
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x000001F950EE3C00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x000001F950EE5970, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{333} normal block at 0x000001F950EFBCC0, 16 bytes long.
 Data: <X&#192;&#239;P&#249;           > 58 C0 EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x000001F950EFBBD0, 16 bytes long.
 Data: <0&#192;&#239;P&#249;           > 30 C0 EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x000001F950EF9D60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{330} normal block at 0x000001F950EFBB80, 16 bytes long.
 Data: < &#192;&#239;P&#249;           > 08 C0 EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x000001F950EFADC0, 16 bytes long.
 Data: <&#224;&#191;&#239;P&#249;           > E0 BF EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x000001F950EFB4A0, 16 bytes long.
 Data: <&#184;&#191;&#239;P&#249;           > B8 BF EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x000001F950EFB090, 16 bytes long.
 Data: < &#191;&#239;P&#249;           > 90 BF EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x000001F950EF9C50, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{325} normal block at 0x000001F950EFB8B0, 16 bytes long.
 Data: <&#232; &#238;P&#249;           > E8 1A EE 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x000001F950EFAAE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{323} normal block at 0x000001F950EFB400, 16 bytes long.
 Data: <&#192; &#238;P&#249;           > C0 1A EE 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x000001F950EFBA90, 16 bytes long.
 Data: <  &#238;P&#249;           > 98 1A EE 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x000001F950EFAFF0, 16 bytes long.
 Data: <p &#238;P&#249;           > 70 1A EE 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x000001F950EFB900, 16 bytes long.
 Data: <H &#238;P&#249;           > 48 1A EE 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x000001F950EFB450, 16 bytes long.
 Data: <  &#238;P&#249;           > 20 1A EE 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x000001F950EFBA40, 16 bytes long.
 Data: <&#248; &#238;P&#249;           > F8 19 EE 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x000001F950EF9E20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{315} normal block at 0x000001F950EFB540, 16 bytes long.
 Data: <&#208; &#238;P&#249;           > D0 19 EE 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x000001F950EE19D0, 320 bytes long.
 Data: <@&#181;&#239;P&#249;    &#158;&#239;P&#249;   > 40 B5 EF 50 F9 01 00 00 20 9E EF 50 F9 01 00 00 
{313} normal block at 0x000001F950EFB9A0, 16 bytes long.
 Data: <p&#191;&#239;P&#249;           > 70 BF EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x000001F950EFB7C0, 16 bytes long.
 Data: <H&#191;&#239;P&#249;           > 48 BF EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001F950EFA9C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{310} normal block at 0x000001F950EFBB30, 16 bytes long.
 Data: < &#191;&#239;P&#249;           > 20 BF EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001F950EFA060, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{308} normal block at 0x000001F950EFB3B0, 16 bytes long.
 Data: <h&#190;&#239;P&#249;           > 68 BE EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001F950EFB310, 16 bytes long.
 Data: <@&#190;&#239;P&#249;           > 40 BE EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001F950EFB950, 16 bytes long.
 Data: < &#190;&#239;P&#249;           > 18 BE EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001F950EFB270, 16 bytes long.
 Data: <&#240;&#189;&#239;P&#249;           > F0 BD EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001F950EFB360, 16 bytes long.
 Data: <&#200;&#189;&#239;P&#249;           > C8 BD EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001F950EFAE10, 16 bytes long.
 Data: <&#160;&#189;&#239;P&#249;           > A0 BD EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001F950EFAD70, 16 bytes long.
 Data: < &#154;&#239;P&#249;           > 90 9A EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001F950EF9A90, 40 bytes long.
 Data: <p&#173;&#239;P&#249;   0&#252;&#241;P&#249;   > 70 AD EF 50 F9 01 00 00 30 FC F1 50 F9 01 00 00 
{299} normal block at 0x000001F950EFAF50, 16 bytes long.
 Data: < &#189;&#239;P&#249;           > 80 BD EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F950EFB1D0, 16 bytes long.
 Data: <X&#189;&#239;P&#249;           > 58 BD EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F950EFA900, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{296} normal block at 0x000001F950EFB6D0, 16 bytes long.
 Data: <0&#189;&#239;P&#249;           > 30 BD EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F950EFBD30, 992 bytes long.
 Data: <&#208;&#182;&#239;P&#249;    &#169;&#239;P&#249;   > D0 B6 EF 50 F9 01 00 00 00 A9 EF 50 F9 01 00 00 
{131} normal block at 0x000001F950EFA540, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{130} normal block at 0x000001F950EED930, 16 bytes long.
 Data: <&#176; &#239;P&#249;           > B0 99 EF 50 F9 01 00 00 00 00 00 00 00 00 00 00 
{129} normal block at 0x000001F950EF99B0, 40 bytes long.
 Data: <0&#217;&#238;P&#249;   @&#165;&#239;P&#249;   > 30 D9 EE 50 F9 01 00 00 40 A5 EF 50 F9 01 00 00 
{108} normal block at 0x000001F950EED7A0, 16 bytes long.
 Data: < &#234;&#134; &#247;           > 80 EA 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x000001F950EED4D0, 16 bytes long.
 Data: <@&#233;&#134; &#247;           > 40 E9 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001F950EED980, 16 bytes long.
 Data: <&#248;W&#131; &#247;           > F8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000001F950EEE3D0, 16 bytes long.
 Data: <&#216;W&#131; &#247;           > D8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001F950EEE380, 16 bytes long.
 Data: <P &#131; &#247;           > 50 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x000001F950EED750, 16 bytes long.
 Data: <0 &#131; &#247;           > 30 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x000001F950EEE330, 16 bytes long.
 Data: <&#224; &#131; &#247;           > E0 02 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x000001F950EEDB60, 16 bytes long.
 Data: <  &#131; &#247;           > 10 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001F950EEE150, 16 bytes long.
 Data: <p &#131; &#247;           > 70 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000001F950EED570, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 81 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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