Task 38687798

Name test_64-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND2835_0
Workunit 31629176
Created 28 Oct 2026, 9:49:35 UTC
Sent 28 Oct 2026, 9:49:46 UTC
Report deadline 2 Nov 2026, 9:49:46 UTC
Received 28 Oct 2026, 11:23:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 644191
Run time 39 min 5 sec
CPU time 35 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,717.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 658.96 MB
Peak swap size 3.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:44:43 (20964): wrapper (7.9.26016): starting
11:44:43 (20964): 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
11:44:44 (20964): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:44:44 (20964): 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\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 'C:\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
12:22:45 (20964): C:/Windows/system32/cmd.exe exited; CPU time 2127.562500
12:22:45 (20964): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 33733009 bytes.
Dumping objects ->
{3835286} normal block at 0x0000018E0BF16230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x0000018E0BF15DD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x0000018E0BF15EB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835253} normal block at 0x0000018E0BF15D60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000018E0BF15CF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835211} normal block at 0x0000018E0DB29C90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x0000018E0BFEED70, 235 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) : {3835197} normal block at 0x0000018E0BF0E030, 8 bytes long.
 Data: <  ( &#142;   > 00 00 28 0C 8E 01 00 00 
{3834575} normal block at 0x0000018E0BFEEEA0, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000018E0BF0EEE0, 8 bytes long.
 Data: <&#240;&#232;&#254; &#142;   > F0 E8 FE 0B 8E 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000018E0BF12550, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018E0BEFF3F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000018E0BF16AA0, 16 bytes long.
 Data: <&#232;w&#241; &#142;           > E8 77 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000018E0BF172C0, 16 bytes long.
 Data: <&#192;w&#241; &#142;           > C0 77 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000018E0BF10440, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000018E0BF16D70, 16 bytes long.
 Data: < w&#241; &#142;           > 98 77 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000018E0BF171D0, 16 bytes long.
 Data: <pw&#241; &#142;           > 70 77 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018E0BF16AF0, 16 bytes long.
 Data: <Hw&#241; &#142;           > 48 77 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018E0BF16D20, 16 bytes long.
 Data: < w&#241; &#142;           > 20 77 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018E0BF163F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000018E0BF17180, 16 bytes long.
 Data: <&#216; &#240; &#142;           > D8 00 F0 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018E0BF0FE40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000018E0BF16E10, 16 bytes long.
 Data: <&#176; &#240; &#142;           > B0 00 F0 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000018E0BF17090, 16 bytes long.
 Data: <  &#240; &#142;           > 88 00 F0 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000018E0BF16500, 16 bytes long.
 Data: <` &#240; &#142;           > 60 00 F0 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000018E0BF17310, 16 bytes long.
 Data: <8 &#240; &#142;           > 38 00 F0 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018E0BF16730, 16 bytes long.
 Data: <  &#240; &#142;           > 10 00 F0 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000018E0BF17040, 16 bytes long.
 Data: <&#232;&#255;&#239; &#142;           > E8 FF EF 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018E0BF10A40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000018E0BF16BE0, 16 bytes long.
 Data: <&#192;&#255;&#239; &#142;           > C0 FF EF 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018E0BEFFFC0, 320 bytes long.
 Data: <&#224;k&#241; &#142;   @ &#241; &#142;   > E0 6B F1 0B 8E 01 00 00 40 0A F1 0B 8E 01 00 00 
{269} normal block at 0x0000018E0BF16F50, 16 bytes long.
 Data: < w&#241; &#142;           > 00 77 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018E0BF16C80, 16 bytes long.
 Data: <&#216;v&#241; &#142;           > D8 76 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018E0BF10980, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000018E0BF16CD0, 16 bytes long.
 Data: <&#176;v&#241; &#142;           > B0 76 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000018E0BF10740, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000018E0BF166E0, 16 bytes long.
 Data: <&#248;u&#241; &#142;           > F8 75 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018E0BF16870, 16 bytes long.
 Data: <&#208;u&#241; &#142;           > D0 75 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000018E0BF168C0, 16 bytes long.
 Data: <&#168;u&#241; &#142;           > A8 75 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018E0BF16DC0, 16 bytes long.
 Data: < u&#241; &#142;           > 80 75 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018E0BF16A50, 16 bytes long.
 Data: <Xu&#241; &#142;           > 58 75 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000018E0BF16FF0, 16 bytes long.
 Data: <0u&#241; &#142;           > 30 75 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000018E0BF17130, 16 bytes long.
 Data: <p`&#241; &#142;           > 70 60 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000018E0BF16070, 40 bytes long.
 Data: <0q&#241; &#142;    &#156;&#178; &#142;   > 30 71 F1 0B 8E 01 00 00 90 9C B2 0D 8E 01 00 00 
{255} normal block at 0x0000018E0BF16FA0, 16 bytes long.
 Data: < u&#241; &#142;           > 10 75 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000018E0BF16C30, 16 bytes long.
 Data: <&#232;t&#241; &#142;           > E8 74 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000018E0BF10860, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000018E0BF16960, 16 bytes long.
 Data: <&#192;t&#241; &#142;           > C0 74 F1 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000018E0BF174C0, 992 bytes long.
 Data: <`i&#241; &#142;   ` &#241; &#142;   > 60 69 F1 0B 8E 01 00 00 60 08 F1 0B 8E 01 00 00 
{87} normal block at 0x0000018E0BF10080, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000018E0BF0E8A0, 16 bytes long.
 Data: < &#248;&#240; &#142;           > 90 F8 F0 0B 8E 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000018E0BF0F890, 40 bytes long.
 Data: <&#160;&#232;&#240; &#142;     &#241; &#142;   > A0 E8 F0 0B 8E 01 00 00 80 00 F1 0B 8E 01 00 00 
{64} normal block at 0x0000018E0BF0E490, 16 bytes long.
 Data: < &#234;&#202;&#215;&#246;           > 80 EA CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000018E0BF0E440, 16 bytes long.
 Data: <@&#233;&#202;&#215;&#246;           > 40 E9 CA D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000018E0BF0E760, 16 bytes long.
 Data: <&#248;W&#199;&#215;&#246;           > F8 57 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000018E0BF0DFE0, 16 bytes long.
 Data: <&#216;W&#199;&#215;&#246;           > D8 57 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000018E0BF0E080, 16 bytes long.
 Data: <P &#199;&#215;&#246;           > 50 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000018E0BF0E300, 16 bytes long.
 Data: <0 &#199;&#215;&#246;           > 30 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000018E0BF0E850, 16 bytes long.
 Data: <&#224; &#199;&#215;&#246;           > E0 02 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000018E0BF0E3A0, 16 bytes long.
 Data: <  &#199;&#215;&#246;           > 10 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000018E0BF0E350, 16 bytes long.
 Data: <p &#199;&#215;&#246;           > 70 04 C7 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000018E0BF0E710, 16 bytes long.
 Data: < &#192;&#197;&#215;&#246;           > 18 C0 C5 D7 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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