Task 38657218

Name test_955-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND9927_0
Workunit 31600886
Created 24 Oct 2026, 11:26:19 UTC
Sent 24 Oct 2026, 11:37:46 UTC
Report deadline 29 Oct 2026, 11:37:46 UTC
Received 24 Oct 2026, 12:23:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640448
Run time 26 min 25 sec
CPU time 24 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 767.75 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:57:20 (4212): wrapper (7.9.26016): starting
13:57:20 (4212): 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
13:57:21 (4212): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:57:21 (4212): 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
14:22:49 (4212): C:/Windows/system32/cmd.exe exited; CPU time 1496.875000
14:22:49 (4212): 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: 23291543 bytes.
Dumping objects ->
{3835422} normal block at 0x0000021EFE0E4370, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835411} normal block at 0x0000021EFE0E43E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835400} normal block at 0x0000021EFE0E4300, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835389} normal block at 0x0000021EFE0E3EA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835378} normal block at 0x0000021EFE0E4140, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835347} normal block at 0x0000021EFFDD7970, 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) : {3835334} normal block at 0x0000021EFE0DEAA0, 8 bytes long.
 Data: <  h&#254;    > 00 00 68 FE 1E 02 00 00 
{3833961} normal block at 0x0000021EFE0DF1D0, 8 bytes long.
 Data: <`&#235; &#254;    > 60 EB 1B FE 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000021EFE0E13D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021EFE0D64B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000021EFE0E5250, 16 bytes long.
 Data: < ^ &#254;            > 98 5E 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021EFE0E5430, 16 bytes long.
 Data: <p^ &#254;            > 70 5E 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021EFE0E04E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000021EFE0E4940, 16 bytes long.
 Data: <H^ &#254;            > 48 5E 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021EFE0E4D50, 16 bytes long.
 Data: < ^ &#254;            > 20 5E 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021EFE0E4990, 16 bytes long.
 Data: <&#248;] &#254;            > F8 5D 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021EFE0E4800, 16 bytes long.
 Data: <&#208;] &#254;            > D0 5D 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021EFE0CF050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000021EFE0E4D00, 16 bytes long.
 Data: <h&#244; &#254;            > 68 F4 0C FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021EFE0E0540, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000021EFE0E4B20, 16 bytes long.
 Data: <@&#244; &#254;            > 40 F4 0C FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021EFE0E5160, 16 bytes long.
 Data: < &#244; &#254;            > 18 F4 0C FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021EFE0E5110, 16 bytes long.
 Data: <&#240;&#243; &#254;            > F0 F3 0C FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021EFE0E4AD0, 16 bytes long.
 Data: <&#200;&#243; &#254;            > C8 F3 0C FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021EFE0E4E40, 16 bytes long.
 Data: <&#160;&#243; &#254;            > A0 F3 0C FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021EFE0E51B0, 16 bytes long.
 Data: <x&#243; &#254;            > 78 F3 0C FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021EFE0E0300, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000021EFE0E5070, 16 bytes long.
 Data: <P&#243; &#254;            > 50 F3 0C FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021EFE0CF350, 320 bytes long.
 Data: <pP &#254;       &#254;    > 70 50 0E FE 1E 02 00 00 00 03 0E FE 1E 02 00 00 
{276} normal block at 0x0000021EFE0E53E0, 16 bytes long.
 Data: <&#176;] &#254;            > B0 5D 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021EFE0E4CB0, 16 bytes long.
 Data: < ] &#254;            > 88 5D 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021EFE0DF940, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000021EFE0E4C10, 16 bytes long.
 Data: <`] &#254;            > 60 5D 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021EFE0DF880, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000021EFE0E5390, 16 bytes long.
 Data: <&#168;\ &#254;            > A8 5C 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021EFE0E5520, 16 bytes long.
 Data: < \ &#254;            > 80 5C 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021EFE0E48A0, 16 bytes long.
 Data: <X\ &#254;            > 58 5C 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000021EFE0E4A80, 16 bytes long.
 Data: <0\ &#254;            > 30 5C 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021EFE0E56B0, 16 bytes long.
 Data: < \ &#254;            > 08 5C 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021EFE0E54D0, 16 bytes long.
 Data: <&#224;[ &#254;            > E0 5B 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021EFE0E50C0, 16 bytes long.
 Data: <p&#212; &#254;            > 70 D4 0C FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021EFE0CD470, 40 bytes long.
 Data: <&#192;P &#254;    py&#221;&#255;    > C0 50 0E FE 1E 02 00 00 70 79 DD FF 1E 02 00 00 
{262} normal block at 0x0000021EFE0E5020, 16 bytes long.
 Data: <&#192;[ &#254;            > C0 5B 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021EFE0E4F80, 16 bytes long.
 Data: < [ &#254;            > 98 5B 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021EFE0DFC40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000021EFE0E4FD0, 16 bytes long.
 Data: <p[ &#254;            > 70 5B 0E FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021EFE0E5B70, 992 bytes long.
 Data: <&#208;O &#254;    @&#252; &#254;    > D0 4F 0E FE 1E 02 00 00 40 FC 0D FE 1E 02 00 00 
{94} normal block at 0x0000021EFE0DFAC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000021EFE0DF770, 16 bytes long.
 Data: < &#218; &#254;            > 20 DA 0C FE 1E 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000021EFE0CDA20, 40 bytes long.
 Data: <p&#247; &#254;    &#192;&#250; &#254;    > 70 F7 0D FE 1E 02 00 00 C0 FA 0D FE 1E 02 00 00 
{71} normal block at 0x0000021EFE0DECD0, 16 bytes long.
 Data: < &#234;&#241;"&#247;           > 80 EA F1 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021EFE0DF540, 16 bytes long.
 Data: <@&#233;&#241;"&#247;           > 40 E9 F1 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021EFE0DF130, 16 bytes long.
 Data: <&#248;W&#238;"&#247;           > F8 57 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021EFE0DF4A0, 16 bytes long.
 Data: <&#216;W&#238;"&#247;           > D8 57 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021EFE0DED70, 16 bytes long.
 Data: <P &#238;"&#247;           > 50 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021EFE0DEFA0, 16 bytes long.
 Data: <0 &#238;"&#247;           > 30 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021EFE0DF720, 16 bytes long.
 Data: <&#224; &#238;"&#247;           > E0 02 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021EFE0DEF50, 16 bytes long.
 Data: <  &#238;"&#247;           > 10 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021EFE0DEB40, 16 bytes long.
 Data: <p &#238;"&#247;           > 70 04 EE 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021EFE0DE8C0, 16 bytes long.
 Data: < &#192;&#236;"&#247;           > 18 C0 EC 22 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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