Task 38684934

Name test_60-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND5548_0
Workunit 31626432
Created 27 Oct 2026, 18:37:47 UTC
Sent 27 Oct 2026, 18:37:54 UTC
Report deadline 1 Nov 2026, 18:37:54 UTC
Received 27 Oct 2026, 19:22:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 44 min 4 sec
CPU time 40 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.29 MB
Peak swap size 5.37 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:38:37 (3584): wrapper (7.9.26016): starting
19:38:37 (3584): 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
19:38:38 (3584): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:38:38 (3584): 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\12\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\12\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
20:21:30 (3584): C:/Windows/system32/cmd.exe exited; CPU time 2451.609375
20:21:30 (3584): 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: 36033195 bytes.
Dumping objects ->
{3835282} normal block at 0x000001C519EDD990, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000001C519EDD7D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000001C518264BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x000001C518264FB0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001C518265020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x000001C519F26DB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001C519F3F680, 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) : {3835193} normal block at 0x000001C51825F310, 8 bytes long.
 Data: <  f &#197;   > 00 00 66 18 C5 01 00 00 
{3834569} normal block at 0x000001C519F3F260, 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 0x000001C51825F450, 8 bytes long.
 Data: < >&#248; &#197;   > 80 3E F8 19 C5 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001C51825E210, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C5182567C0, 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 0x000001C5182659F0, 16 bytes long.
 Data: <&#168;j& &#197;           > A8 6A 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C5182659A0, 16 bytes long.
 Data: < j& &#197;           > 80 6A 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C518260340, 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 0x000001C5182662B0, 16 bytes long.
 Data: <Xj& &#197;           > 58 6A 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C518265EF0, 16 bytes long.
 Data: <0j& &#197;           > 30 6A 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C518265C70, 16 bytes long.
 Data: < j& &#197;           > 08 6A 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C518266030, 16 bytes long.
 Data: <&#224;i& &#197;           > E0 69 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C518264CA0, 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 0x000001C5182658B0, 16 bytes long.
 Data: <8&#244;$ &#197;           > 38 F4 24 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C51825FDA0, 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 0x000001C518266580, 16 bytes long.
 Data: < &#244;$ &#197;           > 10 F4 24 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C518265AE0, 16 bytes long.
 Data: <&#232;&#243;$ &#197;           > E8 F3 24 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C518265EA0, 16 bytes long.
 Data: <&#192;&#243;$ &#197;           > C0 F3 24 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C518265810, 16 bytes long.
 Data: < &#243;$ &#197;           > 98 F3 24 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C518265D60, 16 bytes long.
 Data: <p&#243;$ &#197;           > 70 F3 24 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C5182657C0, 16 bytes long.
 Data: <H&#243;$ &#197;           > 48 F3 24 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C518260760, 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 0x000001C518265B80, 16 bytes long.
 Data: < &#243;$ &#197;           > 20 F3 24 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C51824F320, 320 bytes long.
 Data: < [& &#197;   ` & &#197;   > 80 5B 26 18 C5 01 00 00 60 07 26 18 C5 01 00 00 
{276} normal block at 0x000001C518265CC0, 16 bytes long.
 Data: <&#192;i& &#197;           > C0 69 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C518266170, 16 bytes long.
 Data: < i& &#197;           > 98 69 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C51825FB60, 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 0x000001C518265950, 16 bytes long.
 Data: <pi& &#197;           > 70 69 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C51825FB00, 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 0x000001C518266530, 16 bytes long.
 Data: <&#184;h& &#197;           > B8 68 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C5182664E0, 16 bytes long.
 Data: < h& &#197;           > 90 68 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C518266490, 16 bytes long.
 Data: <hh& &#197;           > 68 68 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C5182666C0, 16 bytes long.
 Data: <@h& &#197;           > 40 68 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C5182660D0, 16 bytes long.
 Data: < h& &#197;           > 18 68 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C518265FE0, 16 bytes long.
 Data: <&#240;g& &#197;           > F0 67 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C518265900, 16 bytes long.
 Data: < J& &#197;           > 00 4A 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C518264A00, 40 bytes long.
 Data: < Y& &#197;   &#176;m&#242; &#197;   > 00 59 26 18 C5 01 00 00 B0 6D F2 19 C5 01 00 00 
{262} normal block at 0x000001C518265DB0, 16 bytes long.
 Data: <&#208;g& &#197;           > D0 67 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C518265A90, 16 bytes long.
 Data: <&#168;g& &#197;           > A8 67 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C518260040, 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 0x000001C518266710, 16 bytes long.
 Data: < g& &#197;           > 80 67 26 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C518266780, 992 bytes long.
 Data: < g& &#197;   @ & &#197;   > 10 67 26 18 C5 01 00 00 40 00 26 18 C5 01 00 00 
{94} normal block at 0x000001C518260460, 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 0x000001C51825F950, 16 bytes long.
 Data: <@&#212;$ &#197;           > 40 D4 24 18 C5 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001C51824D440, 40 bytes long.
 Data: <P&#249;% &#197;   ` & &#197;   > 50 F9 25 18 C5 01 00 00 60 04 26 18 C5 01 00 00 
{71} normal block at 0x000001C51825F360, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C51825F720, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C51825F8B0, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C51825F6D0, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C51825F3B0, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C51825ED70, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C51825F680, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C51825F9F0, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C51825FA40, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C51825EB90, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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