Task 38687830

Name test_389-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND2988_0
Workunit 31629207
Created 28 Oct 2026, 10:03:22 UTC
Sent 28 Oct 2026, 10:03:32 UTC
Report deadline 2 Nov 2026, 10:03:32 UTC
Received 28 Oct 2026, 10:51:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 37 min 39 sec
CPU time 36 min 48 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.63 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:14:16 (8968): wrapper (7.9.26016): starting
11:14:16 (8968): 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
11:14:18 (8968): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:14:18 (8968): 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
11:50:50 (8968): C:/Windows/system32/cmd.exe exited; CPU time 2208.578125
11:50:50 (8968): 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: 29547493 bytes.
Dumping objects ->
{3835234} normal block at 0x000001FA7FE44D10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001FA7FE44E60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001FA7FE44CA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000001FA7FE453A0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000001FA7E045B70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000001FA7FDEC010, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000001FA7FDFF690, 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) : {3835145} normal block at 0x000001FA7E040870, 8 bytes long.
 Data: <  S~&#250;   > 00 00 53 7E FA 01 00 00 
{3834542} normal block at 0x000001FA7FDFF950, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001FA7E040690, 8 bytes long.
 Data: <P?&#228; &#250;   > 50 3F E4 7F FA 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001FA7E041E40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FA7E0377E0, 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 0x000001FA7E046970, 16 bytes long.
 Data: <hv ~&#250;           > 68 76 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FA7E047000, 16 bytes long.
 Data: <@v ~&#250;           > 40 76 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FA7E040C30, 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 0x000001FA7E046740, 16 bytes long.
 Data: < v ~&#250;           > 18 76 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FA7E047140, 16 bytes long.
 Data: <&#240;u ~&#250;           > F0 75 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FA7E0464C0, 16 bytes long.
 Data: <&#200;u ~&#250;           > C8 75 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FA7E046AB0, 16 bytes long.
 Data: <&#160;u ~&#250;           > A0 75 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FA7E045E10, 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 0x000001FA7E046FB0, 16 bytes long.
 Data: <&#168;&#159; ~&#250;           > A8 9F 03 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FA7E0417D0, 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 0x000001FA7E046920, 16 bytes long.
 Data: < &#159; ~&#250;           > 80 9F 03 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FA7E0471E0, 16 bytes long.
 Data: <X&#159; ~&#250;           > 58 9F 03 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FA7E046F60, 16 bytes long.
 Data: <0&#159; ~&#250;           > 30 9F 03 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FA7E046510, 16 bytes long.
 Data: < &#159; ~&#250;           > 08 9F 03 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FA7E046830, 16 bytes long.
 Data: <&#224;&#158; ~&#250;           > E0 9E 03 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FA7E0463D0, 16 bytes long.
 Data: <&#184;&#158; ~&#250;           > B8 9E 03 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FA7E040CF0, 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 0x000001FA7E0468D0, 16 bytes long.
 Data: < &#158; ~&#250;           > 90 9E 03 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FA7E039E90, 320 bytes long.
 Data: <&#208;h ~&#250;   &#240;  ~&#250;   > D0 68 04 7E FA 01 00 00 F0 0C 04 7E FA 01 00 00 
{276} normal block at 0x000001FA7E046A60, 16 bytes long.
 Data: < u ~&#250;           > 80 75 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FA7E046380, 16 bytes long.
 Data: <Xu ~&#250;           > 58 75 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FA7E040F90, 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 0x000001FA7E0466A0, 16 bytes long.
 Data: <0u ~&#250;           > 30 75 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FA7E040E70, 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 0x000001FA7E046B50, 16 bytes long.
 Data: <xt ~&#250;           > 78 74 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FA7E046C90, 16 bytes long.
 Data: <Pt ~&#250;           > 50 74 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FA7E047280, 16 bytes long.
 Data: <(t ~&#250;           > 28 74 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FA7E046A10, 16 bytes long.
 Data: < t ~&#250;           > 00 74 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FA7E046E70, 16 bytes long.
 Data: <&#216;s ~&#250;           > D8 73 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FA7E046DD0, 16 bytes long.
 Data: <&#176;s ~&#250;           > B0 73 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FA7E046D80, 16 bytes long.
 Data: <&#160;] ~&#250;           > A0 5D 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FA7E045DA0, 40 bytes long.
 Data: < m ~&#250;    &#192;&#222; &#250;   > 80 6D 04 7E FA 01 00 00 10 C0 DE 7F FA 01 00 00 
{262} normal block at 0x000001FA7E047050, 16 bytes long.
 Data: < s ~&#250;           > 90 73 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FA7E047190, 16 bytes long.
 Data: <hs ~&#250;           > 68 73 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FA7E0410B0, 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 0x000001FA7E046D30, 16 bytes long.
 Data: <@s ~&#250;           > 40 73 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FA7E047340, 992 bytes long.
 Data: <0m ~&#250;   &#176;  ~&#250;   > 30 6D 04 7E FA 01 00 00 B0 10 04 7E FA 01 00 00 
{94} normal block at 0x000001FA7E041350, 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 0x000001FA7E040550, 16 bytes long.
 Data: <&#208;_ ~&#250;           > D0 5F 04 7E FA 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001FA7E045FD0, 40 bytes long.
 Data: <P  ~&#250;   P  ~&#250;   > 50 05 04 7E FA 01 00 00 50 13 04 7E FA 01 00 00 
{71} normal block at 0x000001FA7E040410, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FA7E03F920, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FA7E03F970, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FA7E03FD80, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FA7E040780, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FA7E03FA10, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FA7E040050, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FA7E03FEC0, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FA7E040500, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FA7E03FCE0, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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