Task 38677667

Name test_335-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND6036_0
Workunit 31619530
Created 26 Oct 2026, 15:01:27 UTC
Sent 26 Oct 2026, 15:01:35 UTC
Report deadline 31 Oct 2026, 15:01:35 UTC
Received 26 Oct 2026, 15:55:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593262
Run time 24 min 33 sec
CPU time 23 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 721.21 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:31:28 (16664): wrapper (7.9.26016): starting
16:31:28 (16664): 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
16:31:29 (16664): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:31:29 (16664): 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\14\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\14\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
16:54:52 (16664): C:/Windows/system32/cmd.exe exited; CPU time 1391.312500
16:54:52 (16664): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 27962368 bytes.
Dumping objects ->
{3835282} normal block at 0x000002619AF21410, 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 0x000002619AF213A0, 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 0x000002619AF21330, 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 0x000002619AF20E60, 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 0x000002619AF212C0, 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 0x000002619B01B090, 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 0x000002619B02E950, 85 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 0x000002619923EE10, 8 bytes long.
 Data: <  r a   > 00 00 72 99 61 02 00 00 
{3834572} normal block at 0x000002619B02FA30, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000002619923EDC0, 8 bytes long.
 Data: <&#160;&#230;" a   > A0 E6 22 99 61 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000026199240270, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000261992386E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x0000026199247B30, 16 bytes long.
 Data: <h&#132;$ a           > 68 84 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000026199247AE0, 16 bytes long.
 Data: <@&#132;$ a           > 40 84 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026199241EC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x0000026199247D10, 16 bytes long.
 Data: < &#132;$ a           > 18 84 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026199247950, 16 bytes long.
 Data: <&#240;&#131;$ a           > F0 83 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026199247BD0, 16 bytes long.
 Data: <&#200;&#131;$ a           > C8 83 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026199247540, 16 bytes long.
 Data: <&#160;&#131;$ a           > A0 83 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002619923FA80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x0000026199247900, 16 bytes long.
 Data: <&#184; # a           > B8 0D 23 99 61 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026199242040, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x0000026199247630, 16 bytes long.
 Data: <  # a           > 90 0D 23 99 61 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026199247220, 16 bytes long.
 Data: <h # a           > 68 0D 23 99 61 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026199248080, 16 bytes long.
 Data: <@ # a           > 40 0D 23 99 61 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026199247310, 16 bytes long.
 Data: <  # a           > 18 0D 23 99 61 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026199247360, 16 bytes long.
 Data: <&#240; # a           > F0 0C 23 99 61 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000261992471D0, 16 bytes long.
 Data: <&#200; # a           > C8 0C 23 99 61 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000261992426A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x0000026199247E00, 16 bytes long.
 Data: <&#160; # a           > A0 0C 23 99 61 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026199230CA0, 320 bytes long.
 Data: < ~$ a   &#160;&$ a   > 00 7E 24 99 61 02 00 00 A0 26 24 99 61 02 00 00 
{281} normal block at 0x00000261992478B0, 16 bytes long.
 Data: < &#131;$ a           > 80 83 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026199247DB0, 16 bytes long.
 Data: <X&#131;$ a           > 58 83 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026199241E60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x00000261992474F0, 16 bytes long.
 Data: <0&#131;$ a           > 30 83 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000261992428E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x0000026199247D60, 16 bytes long.
 Data: <x&#130;$ a           > 78 82 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026199247860, 16 bytes long.
 Data: <P&#130;$ a           > 50 82 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026199247810, 16 bytes long.
 Data: <(&#130;$ a           > 28 82 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000261992472C0, 16 bytes long.
 Data: < &#130;$ a           > 00 82 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000261992479A0, 16 bytes long.
 Data: <&#216; $ a           > D8 81 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026199247A90, 16 bytes long.
 Data: <&#176; $ a           > B0 81 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026199247E50, 16 bytes long.
 Data: < &#250;# a           > 10 FA 23 99 61 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002619923FA10, 40 bytes long.
 Data: <P~$ a    &#176; &#155;a   > 50 7E 24 99 61 02 00 00 90 B0 01 9B 61 02 00 00 
{267} normal block at 0x00000261992477C0, 16 bytes long.
 Data: <  $ a           > 90 81 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026199247A40, 16 bytes long.
 Data: <h $ a           > 68 81 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000261992421C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x0000026199247770, 16 bytes long.
 Data: <@ $ a           > 40 81 24 99 61 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026199248140, 992 bytes long.
 Data: <pw$ a   &#192;!$ a   > 70 77 24 99 61 02 00 00 C0 21 24 99 61 02 00 00 
{99} normal block at 0x0000026199242B20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002619923F630, 16 bytes long.
 Data: <&#192;&#248;# a           > C0 F8 23 99 61 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002619923F8C0, 40 bytes long.
 Data: <0&#246;# a    +$ a   > 30 F6 23 99 61 02 00 00 20 2B 24 99 61 02 00 00 
{76} normal block at 0x000002619923F4A0, 16 bytes long.
 Data: < &#234;<&#206;&#247;           > 80 EA 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002619923F540, 16 bytes long.
 Data: <@&#233;<&#206;&#247;           > 40 E9 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002619923F090, 16 bytes long.
 Data: <&#248;W9&#206;&#247;           > F8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002619923F360, 16 bytes long.
 Data: <&#216;W9&#206;&#247;           > D8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002619923F720, 16 bytes long.
 Data: <P 9&#206;&#247;           > 50 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002619923F5E0, 16 bytes long.
 Data: <0 9&#206;&#247;           > 30 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002619923F180, 16 bytes long.
 Data: <&#224; 9&#206;&#247;           > E0 02 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002619923EF00, 16 bytes long.
 Data: <  9&#206;&#247;           > 10 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002619923EB90, 16 bytes long.
 Data: <p 9&#206;&#247;           > 70 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002619923F4F0, 16 bytes long.
 Data: < &#192;7&#206;&#247;           > 18 C0 37 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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