Task 38679830

Name test_274-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND4459_0
Workunit 31621590
Created 26 Oct 2026, 21:55:26 UTC
Sent 26 Oct 2026, 21:55:31 UTC
Report deadline 31 Oct 2026, 21:55:31 UTC
Received 26 Oct 2026, 23:04:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648153
Run time 1 hours 2 min 37 sec
CPU time 55 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.16 MB
Peak swap size 6.86 GB
Peak disk usage 4.20 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:04:07 (48204): wrapper (7.9.26016): starting
17:04:07 (48204): 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
17:04:10 (48204): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:04:10 (48204): 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
18:04:09 (48204): C:/Windows/system32/cmd.exe exited; CPU time 3300.671875
18:04:09 (48204): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 96469231 bytes.
Dumping objects ->
{3835249} normal block at 0x000001D8DCA164A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001D8DCA16120, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835227} normal block at 0x000001D8DCA16430, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835216} normal block at 0x000001D8DCA157F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x000001D8DCA16040, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835174} normal block at 0x000001D8DC880BD0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835161} normal block at 0x000001D8DAD8C320, 8 bytes long.
 Data: <  &#214;&#218;&#216;   > 00 00 D6 DA D8 01 00 00 
{3833977} normal block at 0x000001D8DAD8BF10, 8 bytes long.
 Data: <&#160;&#227; &#220;&#216;   > A0 E3 88 DC D8 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001D8DAD91BC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001D8DAD80740, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x000001D8DAD97D50, 16 bytes long.
 Data: <&#184;&#131;&#217;&#218;&#216;           > B8 83 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001D8DAD97210, 16 bytes long.
 Data: < &#131;&#217;&#218;&#216;           > 90 83 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D8DAD8F970, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x000001D8DAD976C0, 16 bytes long.
 Data: <h&#131;&#217;&#218;&#216;           > 68 83 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D8DAD97490, 16 bytes long.
 Data: <@&#131;&#217;&#218;&#216;           > 40 83 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D8DAD971C0, 16 bytes long.
 Data: < &#131;&#217;&#218;&#216;           > 18 83 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001D8DAD97940, 16 bytes long.
 Data: <&#240;&#130;&#217;&#218;&#216;           > F0 82 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D8DAD952C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x000001D8DAD978A0, 16 bytes long.
 Data: < &#165;&#216;&#218;&#216;           > 08 A5 D8 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D8DAD90030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x000001D8DAD97AD0, 16 bytes long.
 Data: <&#224;&#164;&#216;&#218;&#216;           > E0 A4 D8 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D8DAD97800, 16 bytes long.
 Data: <&#184;&#164;&#216;&#218;&#216;           > B8 A4 D8 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D8DAD975D0, 16 bytes long.
 Data: < &#164;&#216;&#218;&#216;           > 90 A4 D8 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D8DAD974E0, 16 bytes long.
 Data: <h&#164;&#216;&#218;&#216;           > 68 A4 D8 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D8DAD97EE0, 16 bytes long.
 Data: <@&#164;&#216;&#218;&#216;           > 40 A4 D8 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D8DAD97670, 16 bytes long.
 Data: < &#164;&#216;&#218;&#216;           > 18 A4 D8 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D8DAD90510, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x000001D8DAD97260, 16 bytes long.
 Data: <&#240;&#163;&#216;&#218;&#216;           > F0 A3 D8 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D8DAD8A3F0, 320 bytes long.
 Data: <`r&#217;&#218;&#216;     &#217;&#218;&#216;   > 60 72 D9 DA D8 01 00 00 10 05 D9 DA D8 01 00 00 
{284} normal block at 0x000001D8DAD97A80, 16 bytes long.
 Data: <&#208;&#130;&#217;&#218;&#216;           > D0 82 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D8DAD97350, 16 bytes long.
 Data: <&#168;&#130;&#217;&#218;&#216;           > A8 82 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D8DAD8FA30, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x000001D8DAD97BC0, 16 bytes long.
 Data: < &#130;&#217;&#218;&#216;           > 80 82 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D8DAD904B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x000001D8DAD97530, 16 bytes long.
 Data: <&#200; &#217;&#218;&#216;           > C8 81 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D8DAD973F0, 16 bytes long.
 Data: <&#160; &#217;&#218;&#216;           > A0 81 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D8DAD97850, 16 bytes long.
 Data: <x &#217;&#218;&#216;           > 78 81 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D8DAD97CB0, 16 bytes long.
 Data: <P &#217;&#218;&#216;           > 50 81 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D8DAD97DF0, 16 bytes long.
 Data: <( &#217;&#218;&#216;           > 28 81 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D8DAD978F0, 16 bytes long.
 Data: <  &#217;&#218;&#216;           > 00 81 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D8DAD97710, 16 bytes long.
 Data: < T&#217;&#218;&#216;           > 10 54 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D8DAD95410, 40 bytes long.
 Data: < w&#217;&#218;&#216;   &#208;  &#220;&#216;   > 10 77 D9 DA D8 01 00 00 D0 0B 88 DC D8 01 00 00 
{270} normal block at 0x000001D8DAD97E40, 16 bytes long.
 Data: <&#224; &#217;&#218;&#216;           > E0 80 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D8DAD97580, 16 bytes long.
 Data: <&#184; &#217;&#218;&#216;           > B8 80 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D8DAD8FFD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x000001D8DAD97170, 16 bytes long.
 Data: <  &#217;&#218;&#216;           > 90 80 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D8DAD98090, 992 bytes long.
 Data: <pq&#217;&#218;&#216;   &#208;&#255;&#216;&#218;&#216;   > 70 71 D9 DA D8 01 00 00 D0 FF D8 DA D8 01 00 00 
{102} normal block at 0x000001D8DAD902D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x000001D8DAD8B790, 16 bytes long.
 Data: <`U&#217;&#218;&#216;           > 60 55 D9 DA D8 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001D8DAD95560, 40 bytes long.
 Data: < &#183;&#216;&#218;&#216;   &#208; &#217;&#218;&#216;   > 90 B7 D8 DA D8 01 00 00 D0 02 D9 DA D8 01 00 00 
{79} normal block at 0x000001D8DAD8BBF0, 16 bytes long.
 Data: < &#234;&#130;M&#246;           > 80 EA 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x000001D8DAD8BA10, 16 bytes long.
 Data: <@&#233;&#130;M&#246;           > 40 E9 82 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001D8DAD8BC40, 16 bytes long.
 Data: <&#248;W M&#246;           > F8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001D8DAD8BC90, 16 bytes long.
 Data: <&#216;W M&#246;           > D8 57 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001D8DAD8BBA0, 16 bytes long.
 Data: <P  M&#246;           > 50 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001D8DAD8BE70, 16 bytes long.
 Data: <0  M&#246;           > 30 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D8DAD8C3C0, 16 bytes long.
 Data: <&#224;  M&#246;           > E0 02 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D8DAD8C460, 16 bytes long.
 Data: <   M&#246;           > 10 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D8DAD8BEC0, 16 bytes long.
 Data: <p  M&#246;           > 70 04 7F 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D8DAD8BCE0, 16 bytes long.
 Data: < &#192;}M&#246;           > 18 C0 7D 4D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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