Task 38681349

Name test_781-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND0452_0
Workunit 31623018
Created 27 Oct 2026, 3:36:56 UTC
Sent 27 Oct 2026, 3:37:10 UTC
Report deadline 1 Nov 2026, 3:37:10 UTC
Received 27 Oct 2026, 4:21:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 514949
Run time 36 min 16 sec
CPU time 34 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 635.61 MB
Peak swap size 5.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
22:45:36 (8936): wrapper (7.9.26016): starting
22:45:36 (8936): 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
22:45:37 (8936): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:45:37 (8936): 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\6\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\6\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
23:21:00 (8936): C:/Windows/system32/cmd.exe exited; CPU time 2085.343750
23:21:00 (8936): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 33963849 bytes.
Dumping objects ->
{3835319} normal block at 0x000002469E202D90, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x000002469E2030A0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x000002469E2028C0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x000002469C63DCF0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000002469C63DC80, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x000002469E0EC810, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000002469E1D9F50, 135 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) : {3835230} normal block at 0x000002469C636F60, 8 bytes long.
 Data: <  ^&#156;F   > 00 00 5E 9C 46 02 00 00 
{3834589} normal block at 0x000002469E1D9E80, 135 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000002469C637280, 8 bytes long.
 Data: <   &#158;F   > 90 88 20 9E 46 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002469C6408C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002469C62B690, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000002469C641BD0, 16 bytes long.
 Data: <H@d&#156;F           > 48 40 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002469C6423A0, 16 bytes long.
 Data: < @d&#156;F           > 20 40 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002469C63C2B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000002469C641EA0, 16 bytes long.
 Data: <&#248;?d&#156;F           > F8 3F 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002469C641DB0, 16 bytes long.
 Data: <&#208;?d&#156;F           > D0 3F 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002469C641AE0, 16 bytes long.
 Data: <&#168;?d&#156;F           > A8 3F 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002469C641F90, 16 bytes long.
 Data: < ?d&#156;F           > 80 3F 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002469C63D6D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000002469C642530, 16 bytes long.
 Data: <h&#210;c&#156;F           > 68 D2 63 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002469C63C730, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000002469C642210, 16 bytes long.
 Data: <@&#210;c&#156;F           > 40 D2 63 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002469C642620, 16 bytes long.
 Data: < &#210;c&#156;F           > 18 D2 63 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002469C641D60, 16 bytes long.
 Data: <&#240;&#209;c&#156;F           > F0 D1 63 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002469C642350, 16 bytes long.
 Data: <&#200;&#209;c&#156;F           > C8 D1 63 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002469C642170, 16 bytes long.
 Data: <&#160;&#209;c&#156;F           > A0 D1 63 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002469C641D10, 16 bytes long.
 Data: <x&#209;c&#156;F           > 78 D1 63 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002469C63C070, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000002469C642120, 16 bytes long.
 Data: <P&#209;c&#156;F           > 50 D1 63 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002469C63D150, 320 bytes long.
 Data: < !d&#156;F   p&#192;c&#156;F   > 20 21 64 9C 46 02 00 00 70 C0 63 9C 46 02 00 00 
{270} normal block at 0x000002469C641A40, 16 bytes long.
 Data: <`?d&#156;F           > 60 3F 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002469C6419F0, 16 bytes long.
 Data: <8?d&#156;F           > 38 3F 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002469C63BE90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000002469C641CC0, 16 bytes long.
 Data: < ?d&#156;F           > 10 3F 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002469C63B9B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000002469C641FE0, 16 bytes long.
 Data: <X>d&#156;F           > 58 3E 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002469C642300, 16 bytes long.
 Data: <0>d&#156;F           > 30 3E 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002469C6427B0, 16 bytes long.
 Data: < >d&#156;F           > 08 3E 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002469C6425D0, 16 bytes long.
 Data: <&#224;=d&#156;F           > E0 3D 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002469C6426C0, 16 bytes long.
 Data: <&#184;=d&#156;F           > B8 3D 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002469C6424E0, 16 bytes long.
 Data: < =d&#156;F           > 90 3D 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002469C641F40, 16 bytes long.
 Data: <`&#221;c&#156;F           > 60 DD 63 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002469C63DD60, 40 bytes long.
 Data: <@ d&#156;F    &#200; &#158;F   > 40 1F 64 9C 46 02 00 00 10 C8 0E 9E 46 02 00 00 
{256} normal block at 0x000002469C641B30, 16 bytes long.
 Data: <p=d&#156;F           > 70 3D 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002469C641B80, 16 bytes long.
 Data: <H=d&#156;F           > 48 3D 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002469C63C670, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000002469C642710, 16 bytes long.
 Data: < =d&#156;F           > 20 3D 64 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002469C643D20, 992 bytes long.
 Data: < 'd&#156;F   p&#198;c&#156;F   > 10 27 64 9C 46 02 00 00 70 C6 63 9C 46 02 00 00 
{88} normal block at 0x000002469C63C010, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000002469C637730, 16 bytes long.
 Data: <&#176;&#215;c&#156;F           > B0 D7 63 9C 46 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002469C63D7B0, 40 bytes long.
 Data: <0wc&#156;F    &#192;c&#156;F   > 30 77 63 9C 46 02 00 00 10 C0 63 9C 46 02 00 00 
{65} normal block at 0x000002469C6370F0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002469C637190, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002469C6369C0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002469C6375F0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002469C6375A0, 16 bytes long.
 Data: <P   &#247;           > 50 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002469C636F10, 16 bytes long.
 Data: <0   &#247;           > 30 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002469C637410, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002469C636E70, 16 bytes long.
 Data: <    &#247;           > 10 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002469C637550, 16 bytes long.
 Data: <p   &#247;           > 70 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002469C636E20, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 17 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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