Task 38685004

Name test_83-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND0085_0
Workunit 31626496
Created 27 Oct 2026, 18:57:40 UTC
Sent 27 Oct 2026, 18:57:45 UTC
Report deadline 1 Nov 2026, 18:57:45 UTC
Received 27 Oct 2026, 19:52:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652372
Run time 54 min 10 sec
CPU time 52 min 8 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,888.09 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.82 MB
Peak swap size 6.74 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:59:28 (18412): wrapper (7.9.26016): starting
19:59:28 (18412): 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
19:59:30 (18412): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:59:30 (18412): 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\8\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\8\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
20:52:28 (18412): C:/Windows/system32/cmd.exe exited; CPU time 3128.218750
20:52:28 (18412): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 46388807 bytes.
Dumping objects ->
{3835551} normal block at 0x000001780795C970, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835540} normal block at 0x0000017805D64CB0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835529} normal block at 0x0000017805D64BD0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835518} normal block at 0x0000017805D64B60, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835507} normal block at 0x0000017805D64A10, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835476} normal block at 0x00000178079A5F80, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835465} normal block at 0x00000178079BF0A0, 102 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) : {3835462} normal block at 0x0000017805D5EC40, 8 bytes long.
 Data: <  - x   > 00 00 2D 06 78 01 00 00 
{3834687} normal block at 0x00000178079BE390, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x0000017805D5F4B0, 8 bytes long.
 Data: < N&#160; x   > 80 4E A0 07 78 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000017805D61110, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017805D56670, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000017805D65880, 16 bytes long.
 Data: <hf&#214; x           > 68 66 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017805D660A0, 16 bytes long.
 Data: <@f&#214; x           > 40 66 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017805D5FB40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000017805D66230, 16 bytes long.
 Data: < f&#214; x           > 18 66 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017805D656F0, 16 bytes long.
 Data: <&#240;e&#214; x           > F0 65 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017805D65650, 16 bytes long.
 Data: <&#200;e&#214; x           > C8 65 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000017805D65830, 16 bytes long.
 Data: <&#160;e&#214; x           > A0 65 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017805D64AF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000017805D65E70, 16 bytes long.
 Data: < &#181;&#212; x           > 88 B5 D4 05 78 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000017805D60440, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000017805D65600, 16 bytes long.
 Data: <`&#181;&#212; x           > 60 B5 D4 05 78 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017805D65560, 16 bytes long.
 Data: <8&#181;&#212; x           > 38 B5 D4 05 78 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017805D653D0, 16 bytes long.
 Data: < &#181;&#212; x           > 10 B5 D4 05 78 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017805D66000, 16 bytes long.
 Data: <&#232;&#180;&#212; x           > E8 B4 D4 05 78 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017805D66280, 16 bytes long.
 Data: <&#192;&#180;&#212; x           > C0 B4 D4 05 78 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017805D65BF0, 16 bytes long.
 Data: < &#180;&#212; x           > 98 B4 D4 05 78 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017805D5F9C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000017805D65BA0, 16 bytes long.
 Data: <p&#180;&#212; x           > 70 B4 D4 05 78 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017805D4B470, 320 bytes long.
 Data: <&#160;[&#214; x   &#192;&#249;&#213; x   > A0 5B D6 05 78 01 00 00 C0 F9 D5 05 78 01 00 00 
{278} normal block at 0x0000017805D65510, 16 bytes long.
 Data: < e&#214; x           > 80 65 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017805D657E0, 16 bytes long.
 Data: <Xe&#214; x           > 58 65 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017805D5F900, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000017805D65740, 16 bytes long.
 Data: <0e&#214; x           > 30 65 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017805D5FD80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000017805D65790, 16 bytes long.
 Data: <xd&#214; x           > 78 64 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017805D65B50, 16 bytes long.
 Data: <Pd&#214; x           > 50 64 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017805D65F60, 16 bytes long.
 Data: <(d&#214; x           > 28 64 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017805D655B0, 16 bytes long.
 Data: < d&#214; x           > 00 64 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000017805D66050, 16 bytes long.
 Data: <&#216;c&#214; x           > D8 63 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017805D65FB0, 16 bytes long.
 Data: <&#176;c&#214; x           > B0 63 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017805D654C0, 16 bytes long.
 Data: <PH&#214; x           > 50 48 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017805D64850, 40 bytes long.
 Data: <&#192;T&#214; x    _&#154; x   > C0 54 D6 05 78 01 00 00 80 5F 9A 07 78 01 00 00 
{264} normal block at 0x0000017805D65B00, 16 bytes long.
 Data: < c&#214; x           > 90 63 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017805D65AB0, 16 bytes long.
 Data: <hc&#214; x           > 68 63 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017805D5FC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000017805D661E0, 16 bytes long.
 Data: <@c&#214; x           > 40 63 D6 05 78 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017805D66340, 992 bytes long.
 Data: <&#224;a&#214; x   `&#252;&#213; x   > E0 61 D6 05 78 01 00 00 60 FC D5 05 78 01 00 00 
{96} normal block at 0x0000017805D5F8A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000017805D5EE20, 16 bytes long.
 Data: <&#192;&#229;&#212; x           > C0 E5 D4 05 78 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000017805D4E5C0, 40 bytes long.
 Data: < &#238;&#213; x   &#160;&#248;&#213; x   > 20 EE D5 05 78 01 00 00 A0 F8 D5 05 78 01 00 00 
{73} normal block at 0x0000017805D5EB50, 16 bytes long.
 Data: < &#234;s&#154;&#247;           > 80 EA 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000017805D5E830, 16 bytes long.
 Data: <@&#233;s&#154;&#247;           > 40 E9 73 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017805D5EB00, 16 bytes long.
 Data: <&#248;Wp&#154;&#247;           > F8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017805D5EC90, 16 bytes long.
 Data: <&#216;Wp&#154;&#247;           > D8 57 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017805D5EDD0, 16 bytes long.
 Data: <P p&#154;&#247;           > 50 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017805D5F1E0, 16 bytes long.
 Data: <0 p&#154;&#247;           > 30 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017805D5ED30, 16 bytes long.
 Data: <&#224; p&#154;&#247;           > E0 02 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017805D5EF10, 16 bytes long.
 Data: <  p&#154;&#247;           > 10 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017805D5ECE0, 16 bytes long.
 Data: <p p&#154;&#247;           > 70 04 70 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017805D5F5A0, 16 bytes long.
 Data: < &#192;n&#154;&#247;           > 18 C0 6E 9A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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