Task 38686962

Name test_685-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8877_0
Workunit 31628368
Created 28 Oct 2026, 5:17:07 UTC
Sent 28 Oct 2026, 5:17:12 UTC
Report deadline 2 Nov 2026, 5:17:12 UTC
Received 28 Oct 2026, 8:42:12 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623084
Run time 1 hours 8 min 7 sec
CPU time 1 hours 4 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,503.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.78 MB
Peak swap size 12.77 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:23:02 (33696): wrapper (7.9.26016): starting
16:23:02 (33696): 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
16:23:03 (33696): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:23:03 (33696): 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\34\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\34\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
17:30:15 (33696): C:/Windows/system32/cmd.exe exited; CPU time 3871.984375
17:30:15 (33696): called boinc_finish(0)
0 bytes in 0 Free Blocks.
464 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: 67838041 bytes.
Dumping objects ->
{3835600} normal block at 0x000001FD38C89CC0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x000001FD38C89EF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835578} normal block at 0x000001FD38C89E80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835567} normal block at 0x000001FD38C8A350, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835556} normal block at 0x000001FD38C89FD0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835525} normal block at 0x000001FD3AC69C30, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835514} normal block at 0x000001FD3AC7F9D0, 104 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) : {3835511} normal block at 0x000001FD38C5E6F0, 8 bytes long.
 Data: <  &#190;8    > 00 00 BE 38 FD 01 00 00 
{3834797} normal block at 0x000001FD3AC7FA80, 104 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834105} normal block at 0x000001FD38C5E0B0, 8 bytes long.
 Data: <  &#211;8    > 90 E5 D3 38 FD 01 00 00 
..\zip\boinc_zip.cpp(122) : {324} normal block at 0x000001FD38C63090, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001FD38C57640, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{308} normal block at 0x000001FD38C66580, 16 bytes long.
 Data: <xw&#198;8            > 78 77 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001FD38C66DA0, 16 bytes long.
 Data: <Pw&#198;8            > 50 77 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001FD38C60FD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{305} normal block at 0x000001FD38C66FD0, 16 bytes long.
 Data: <(w&#198;8            > 28 77 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001FD38C67390, 16 bytes long.
 Data: < w&#198;8            > 00 77 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001FD38C67340, 16 bytes long.
 Data: <&#216;v&#198;8            > D8 76 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001FD38C66E40, 16 bytes long.
 Data: <&#176;v&#198;8            > B0 76 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001FD38C613C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{300} normal block at 0x000001FD38C67250, 16 bytes long.
 Data: <8 &#198;8            > 38 01 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FD38C60BB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{298} normal block at 0x000001FD38C66490, 16 bytes long.
 Data: <  &#198;8            > 10 01 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FD38C66F30, 16 bytes long.
 Data: <  &#198;8            > E8 00 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FD38C66800, 16 bytes long.
 Data: <&#192; &#198;8            > C0 00 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FD38C670C0, 16 bytes long.
 Data: <  &#198;8            > 98 00 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FD38C66A80, 16 bytes long.
 Data: <p &#198;8            > 70 00 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FD38C66D50, 16 bytes long.
 Data: <H &#198;8            > 48 00 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FD38C60DF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{290} normal block at 0x000001FD38C67070, 16 bytes long.
 Data: <  &#198;8            > 20 00 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FD38C60020, 320 bytes long.
 Data: <pp&#198;8      &#198;8    > 70 70 C6 38 FD 01 00 00 F0 0D C6 38 FD 01 00 00 
{288} normal block at 0x000001FD38C66D00, 16 bytes long.
 Data: < v&#198;8            > 90 76 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FD38C66620, 16 bytes long.
 Data: <hv&#198;8            > 68 76 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FD38C61090, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{285} normal block at 0x000001FD38C673E0, 16 bytes long.
 Data: <@v&#198;8            > 40 76 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FD38C60370, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{283} normal block at 0x000001FD38C66E90, 16 bytes long.
 Data: < u&#198;8            > 88 75 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FD38C67160, 16 bytes long.
 Data: <`u&#198;8            > 60 75 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FD38C66B20, 16 bytes long.
 Data: <8u&#198;8            > 38 75 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FD38C666C0, 16 bytes long.
 Data: < u&#198;8            > 10 75 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FD38C66710, 16 bytes long.
 Data: < t&#198;8            > E8 74 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FD38C66530, 16 bytes long.
 Data: <&#192;t&#198;8            > C0 74 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FD38C672A0, 16 bytes long.
 Data: <&#176; &#198;8            > B0 17 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FD38C617B0, 40 bytes long.
 Data: < r&#198;8    0 &#198;:    > A0 72 C6 38 FD 01 00 00 30 9C C6 3A FD 01 00 00 
{274} normal block at 0x000001FD38C672F0, 16 bytes long.
 Data: < t&#198;8            > A0 74 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FD38C66A30, 16 bytes long.
 Data: <xt&#198;8            > 78 74 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FD38C60F70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{271} normal block at 0x000001FD38C667B0, 16 bytes long.
 Data: <Pt&#198;8            > 50 74 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FD38C67450, 992 bytes long.
 Data: <&#176;g&#198;8    p &#198;8    > B0 67 C6 38 FD 01 00 00 70 0F C6 38 FD 01 00 00 
{106} normal block at 0x000001FD38C60610, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{105} normal block at 0x000001FD38C5E740, 16 bytes long.
 Data: <@ &#198;8            > 40 17 C6 38 FD 01 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001FD38C61740, 40 bytes long.
 Data: <@ &#197;8      &#198;8    > 40 E7 C5 38 FD 01 00 00 10 06 C6 38 FD 01 00 00 
{81} normal block at 0x000001FD38C5EC40, 16 bytes long.
 Data: <  -&#202;            > 80 EA 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{80} normal block at 0x000001FD38C5E2E0, 16 bytes long.
 Data: <@ -&#202;            > 40 E9 2D CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{79} normal block at 0x000001FD38C5E8D0, 16 bytes long.
 Data: < W*&#202;            > F8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001FD38C5E790, 16 bytes long.
 Data: <&#216;W*&#202;            > D8 57 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001FD38C5EC90, 16 bytes long.
 Data: <P *&#202;            > 50 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001FD38C5E1A0, 16 bytes long.
 Data: <0 *&#202;            > 30 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001FD38C5E510, 16 bytes long.
 Data: <  *&#202;            > E0 02 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001FD38C5ED80, 16 bytes long.
 Data: <  *&#202;            > 10 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FD38C5E1F0, 16 bytes long.
 Data: <p *&#202;            > 70 04 2A CA F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FD38C5E290, 16 bytes long.
 Data: < &#192;(&#202;            > 18 C0 28 CA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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