Task 38663307

Name test_607-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND6274_0
Workunit 31606522
Created 24 Oct 2026, 21:45:13 UTC
Sent 24 Oct 2026, 21:45:17 UTC
Report deadline 29 Oct 2026, 21:45:17 UTC
Received 25 Oct 2026, 1:02:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 616964
Run time 1 hours 34 min 29 sec
CPU time 1 hours 31 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,180.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 689.24 MB
Peak swap size 6.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
01:27:01 (24388): wrapper (7.9.26016): starting
01:27:01 (24388): 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
01:27:02 (24388): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:27:02 (24388): 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\11\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\11\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
03:01:22 (24388): C:/Windows/system32/cmd.exe exited; CPU time 5464.000000
03:01:22 (24388): 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: 82820979 bytes.
Dumping objects ->
{3835657} normal block at 0x0000017093EBD150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835646} normal block at 0x00000170921A4E50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835635} normal block at 0x00000170921A4D70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835624} normal block at 0x00000170921A4D00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835613} normal block at 0x00000170921A4C90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835582} normal block at 0x0000017093F0A180, 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) : {3835569} normal block at 0x000001709219F0D0, 8 bytes long.
 Data: <  &#201;&#147;p   > 00 00 C9 93 70 01 00 00 
{3833961} normal block at 0x000001709219EFE0, 8 bytes long.
 Data: <&#224;C&#246;&#147;p   > E0 43 F6 93 70 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000170921A0830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000017092196D30, 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 0x00000170921A5E50, 16 bytes long.
 Data: <Hf &#146;p           > 48 66 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000170921A5E00, 16 bytes long.
 Data: < f &#146;p           > 20 66 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001709219F8E0, 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 0x00000170921A6030, 16 bytes long.
 Data: <&#248;e &#146;p           > F8 65 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000170921A5810, 16 bytes long.
 Data: <&#208;e &#146;p           > D0 65 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000170921A5DB0, 16 bytes long.
 Data: <&#168;e &#146;p           > A8 65 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000170921A54A0, 16 bytes long.
 Data: < e &#146;p           > 80 65 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000170921A4750, 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 0x00000170921A5D60, 16 bytes long.
 Data: <&#216;&#230; &#146;p           > D8 E6 19 92 70 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001709219F9A0, 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 0x00000170921A54F0, 16 bytes long.
 Data: <&#176;&#230; &#146;p           > B0 E6 19 92 70 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000170921A5D10, 16 bytes long.
 Data: < &#230; &#146;p           > 88 E6 19 92 70 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000170921A5CC0, 16 bytes long.
 Data: <`&#230; &#146;p           > 60 E6 19 92 70 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000170921A5C70, 16 bytes long.
 Data: <8&#230; &#146;p           > 38 E6 19 92 70 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000170921A6210, 16 bytes long.
 Data: < &#230; &#146;p           > 10 E6 19 92 70 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000170921A5C20, 16 bytes long.
 Data: <&#232;&#229; &#146;p           > E8 E5 19 92 70 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001709219FCA0, 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 0x00000170921A5BD0, 16 bytes long.
 Data: <&#192;&#229; &#146;p           > C0 E5 19 92 70 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001709219E5C0, 320 bytes long.
 Data: <&#208;[ &#146;p   &#160;&#252; &#146;p   > D0 5B 1A 92 70 01 00 00 A0 FC 19 92 70 01 00 00 
{276} normal block at 0x00000170921A5B30, 16 bytes long.
 Data: <`e &#146;p           > 60 65 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000170921A57C0, 16 bytes long.
 Data: <8e &#146;p           > 38 65 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001709219FB80, 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 0x00000170921A5540, 16 bytes long.
 Data: < e &#146;p           > 10 65 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001709219FAC0, 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 0x00000170921A5AE0, 16 bytes long.
 Data: <Xd &#146;p           > 58 64 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000170921A5A90, 16 bytes long.
 Data: <0d &#146;p           > 30 64 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000170921A58B0, 16 bytes long.
 Data: < d &#146;p           > 08 64 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000170921A5B80, 16 bytes long.
 Data: <&#224;c &#146;p           > E0 63 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000170921A5F90, 16 bytes long.
 Data: <&#184;c &#146;p           > B8 63 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000170921A5EF0, 16 bytes long.
 Data: < c &#146;p           > 90 63 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000170921A5950, 16 bytes long.
 Data: <&#240;I &#146;p           > F0 49 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000170921A49F0, 40 bytes long.
 Data: <PY &#146;p    &#161;&#240;&#147;p   > 50 59 1A 92 70 01 00 00 80 A1 F0 93 70 01 00 00 
{262} normal block at 0x00000170921A5A40, 16 bytes long.
 Data: <pc &#146;p           > 70 63 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000170921A59A0, 16 bytes long.
 Data: <Hc &#146;p           > 48 63 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000170921A0720, 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 0x00000170921A5770, 16 bytes long.
 Data: < c &#146;p           > 20 63 1A 92 70 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000170921A6320, 992 bytes long.
 Data: <pW &#146;p      &#146;p   > 70 57 1A 92 70 01 00 00 20 07 1A 92 70 01 00 00 
{94} normal block at 0x00000170921A0300, 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 0x000001709219EB30, 16 bytes long.
 Data: <&#160;&#238; &#146;p           > A0 EE 18 92 70 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001709218EEA0, 40 bytes long.
 Data: <0&#235; &#146;p      &#146;p   > 30 EB 19 92 70 01 00 00 00 03 1A 92 70 01 00 00 
{71} normal block at 0x000001709219EC70, 16 bytes long.
 Data: < &#234;&#196;a&#247;           > 80 EA C4 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001709219F440, 16 bytes long.
 Data: <@&#233;&#196;a&#247;           > 40 E9 C4 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001709219F080, 16 bytes long.
 Data: <&#248;W&#193;a&#247;           > F8 57 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001709219EE00, 16 bytes long.
 Data: <&#216;W&#193;a&#247;           > D8 57 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001709219F620, 16 bytes long.
 Data: <P &#193;a&#247;           > 50 04 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001709219EDB0, 16 bytes long.
 Data: <0 &#193;a&#247;           > 30 04 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001709219EAE0, 16 bytes long.
 Data: <&#224; &#193;a&#247;           > E0 02 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001709219E900, 16 bytes long.
 Data: <  &#193;a&#247;           > 10 04 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001709219EF90, 16 bytes long.
 Data: <p &#193;a&#247;           > 70 04 C1 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001709219E9A0, 16 bytes long.
 Data: < &#192;&#191;a&#247;           > 18 C0 BF 61 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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