Task 38666394

Name test_58-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND9630_1
Workunit 31608695
Created 25 Oct 2026, 3:03:01 UTC
Sent 25 Oct 2026, 3:26:38 UTC
Report deadline 30 Oct 2026, 3:26:38 UTC
Received 25 Oct 2026, 10:43:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618813
Run time 31 min 34 sec
CPU time 30 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 86,019.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.22 MB
Peak swap size 13.19 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
06:12:50 (76500): wrapper (7.9.26016): starting
06:12:50 (76500): 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
06:12:51 (76500): Library/usr/bin/tar.exe exited; CPU time 0.031250
06:12:51 (76500): 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
06:43:28 (76500): C:/Windows/system32/cmd.exe exited; CPU time 1830.234375
06:43:28 (76500): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 58501063 bytes.
Dumping objects ->
{3835426} normal block at 0x000001C9840E0840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835415} normal block at 0x000001C9840E1330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835404} normal block at 0x000001C9840E0920, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835393} normal block at 0x000001C9840E16B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x000001C9840E0C30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835351} normal block at 0x000001C9823CF9F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835340} normal block at 0x000001C982404CE0, 140 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) : {3835337} normal block at 0x000001C98239D0D0, 8 bytes long.
 Data: <  &#229;&#131;&#201;   > 00 00 E5 83 C9 01 00 00 
{3834683} normal block at 0x000001C982404E80, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834035} normal block at 0x000001C98239CF90, 8 bytes long.
 Data: <p 9&#130;&#201;   > 70 0D 39 82 C9 01 00 00 
..\zip\boinc_zip.cpp(122) : {349} normal block at 0x000001C98238D970, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{334} normal block at 0x000001C982394070, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{333} normal block at 0x000001C9823AB700, 16 bytes long.
 Data: < ~:&#130;&#201;           > 08 7E 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{332} normal block at 0x000001C9823AB610, 16 bytes long.
 Data: <&#224;}:&#130;&#201;           > E0 7D 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{331} normal block at 0x000001C9823A40F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{330} normal block at 0x000001C9823AB980, 16 bytes long.
 Data: <&#184;}:&#130;&#201;           > B8 7D 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{329} normal block at 0x000001C9823ABA70, 16 bytes long.
 Data: < }:&#130;&#201;           > 90 7D 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{328} normal block at 0x000001C9823AB890, 16 bytes long.
 Data: <h}:&#130;&#201;           > 68 7D 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{327} normal block at 0x000001C9823AB3E0, 16 bytes long.
 Data: <@}:&#130;&#201;           > 40 7D 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{326} normal block at 0x000001C9823A8AF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{325} normal block at 0x000001C9823ABD90, 16 bytes long.
 Data: < =9&#130;&#201;           > 88 3D 39 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{324} normal block at 0x000001C9823A4AB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{323} normal block at 0x000001C9823ABB60, 16 bytes long.
 Data: <`=9&#130;&#201;           > 60 3D 39 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{321} normal block at 0x000001C9823AB110, 16 bytes long.
 Data: <8=9&#130;&#201;           > 38 3D 39 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{320} normal block at 0x000001C9823ABB10, 16 bytes long.
 Data: < =9&#130;&#201;           > 10 3D 39 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{319} normal block at 0x000001C9823AAFD0, 16 bytes long.
 Data: <&#232;<9&#130;&#201;           > E8 3C 39 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{318} normal block at 0x000001C9823AB2F0, 16 bytes long.
 Data: <&#192;<9&#130;&#201;           > C0 3C 39 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{317} normal block at 0x000001C9823ABCA0, 16 bytes long.
 Data: < <9&#130;&#201;           > 98 3C 39 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{316} normal block at 0x000001C9823A47B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{315} normal block at 0x000001C9823AB6B0, 16 bytes long.
 Data: <p<9&#130;&#201;           > 70 3C 39 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{314} normal block at 0x000001C982393C70, 320 bytes long.
 Data: <&#176;&#182;:&#130;&#201;   &#176;G:&#130;&#201;   > B0 B6 3A 82 C9 01 00 00 B0 47 3A 82 C9 01 00 00 
{313} normal block at 0x000001C9823AB390, 16 bytes long.
 Data: < }:&#130;&#201;           > 20 7D 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{312} normal block at 0x000001C9823AB520, 16 bytes long.
 Data: <&#248;|:&#130;&#201;           > F8 7C 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{311} normal block at 0x000001C9823A4450, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{310} normal block at 0x000001C9823ABC00, 16 bytes long.
 Data: <&#208;|:&#130;&#201;           > D0 7C 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{309} normal block at 0x000001C9823A3C70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{308} normal block at 0x000001C9823AB480, 16 bytes long.
 Data: < |:&#130;&#201;           > 18 7C 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{307} normal block at 0x000001C9823ABF20, 16 bytes long.
 Data: <&#240;{:&#130;&#201;           > F0 7B 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{306} normal block at 0x000001C9823AB4D0, 16 bytes long.
 Data: <&#200;{:&#130;&#201;           > C8 7B 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x000001C9823AB5C0, 16 bytes long.
 Data: <&#160;{:&#130;&#201;           > A0 7B 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001C9823ABC50, 16 bytes long.
 Data: <x{:&#130;&#201;           > 78 7B 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x000001C9823AB430, 16 bytes long.
 Data: <P{:&#130;&#201;           > 50 7B 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001C9823ABED0, 16 bytes long.
 Data: <&#192; :&#130;&#201;           > C0 8F 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C9823A8FC0, 40 bytes long.
 Data: <&#208;&#190;:&#130;&#201;   &#240;&#249;<&#130;&#201;   > D0 BE 3A 82 C9 01 00 00 F0 F9 3C 82 C9 01 00 00 
{299} normal block at 0x000001C9823AB200, 16 bytes long.
 Data: <0{:&#130;&#201;           > 30 7B 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C9823AB160, 16 bytes long.
 Data: < {:&#130;&#201;           > 08 7B 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C9823A43F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{296} normal block at 0x000001C9823ABBB0, 16 bytes long.
 Data: <&#224;z:&#130;&#201;           > E0 7A 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C9823A7AE0, 992 bytes long.
 Data: <&#176;&#187;:&#130;&#201;   &#240;C:&#130;&#201;   > B0 BB 3A 82 C9 01 00 00 F0 43 3A 82 C9 01 00 00 
{131} normal block at 0x000001C9823A4990, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{130} normal block at 0x000001C98239CBD0, 16 bytes long.
 Data: <@&#140;:&#130;&#201;           > 40 8C 3A 82 C9 01 00 00 00 00 00 00 00 00 00 00 
{129} normal block at 0x000001C9823A8C40, 40 bytes long.
 Data: <&#208;&#203;9&#130;&#201;    I:&#130;&#201;   > D0 CB 39 82 C9 01 00 00 90 49 3A 82 C9 01 00 00 
{108} normal block at 0x000001C98239D4E0, 16 bytes long.
 Data: < &#234;&#134; &#247;           > 80 EA 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{107} normal block at 0x000001C98239D3F0, 16 bytes long.
 Data: <@&#233;&#134; &#247;           > 40 E9 86 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{106} normal block at 0x000001C98239CB30, 16 bytes long.
 Data: <&#248;W&#131; &#247;           > F8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{105} normal block at 0x000001C98239D5D0, 16 bytes long.
 Data: <&#216;W&#131; &#247;           > D8 57 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{104} normal block at 0x000001C98239D580, 16 bytes long.
 Data: <P &#131; &#247;           > 50 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{103} normal block at 0x000001C98239D760, 16 bytes long.
 Data: <0 &#131; &#247;           > 30 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{102} normal block at 0x000001C98239C9F0, 16 bytes long.
 Data: <&#224; &#131; &#247;           > E0 02 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{101} normal block at 0x000001C98239C950, 16 bytes long.
 Data: <  &#131; &#247;           > 10 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x000001C98239D2B0, 16 bytes long.
 Data: <p &#131; &#247;           > 70 04 83 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000001C98239D3A0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 81 7F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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