Task 38678667

Name test_877-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND6011_0
Workunit 31620477
Created 26 Oct 2026, 18:06:51 UTC
Sent 26 Oct 2026, 18:06:56 UTC
Report deadline 31 Oct 2026, 18:06:56 UTC
Received 26 Oct 2026, 18:32:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593262
Run time 24 min 35 sec
CPU time 23 min 10 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 721.84 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>
19:08:14 (19176): wrapper (7.9.26016): starting
19:08:14 (19176): 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
19:08:15 (19176): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:08:15 (19176): 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
19:31:38 (19176): C:/Windows/system32/cmd.exe exited; CPU time 1390.125000
19:31:38 (19176): 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: 27936220 bytes.
Dumping objects ->
{3835282} normal block at 0x000001F0AE5E0F40, 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 0x000001F0AE5E1250, 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 0x000001F0AE5E16B0, 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 0x000001F0AE5E1330, 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 0x000001F0AE5E1170, 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 0x000001F0AE7DD910, 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 0x000001F0AE7EF850, 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 0x000001F0ACA2F220, 8 bytes long.
 Data: <  &#160;&#172;&#240;   > 00 00 A0 AC F0 01 00 00 
{3834572} normal block at 0x000001F0AE7EF2B0, 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 0x000001F0ACA2EB40, 8 bytes long.
 Data: <&#160;&#230;&#161;&#172;&#240;   > A0 E6 A1 AC F0 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001F0ACA2FF00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001F0ACA27FB0, 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 0x000001F0ACA37630, 16 bytes long.
 Data: <x&#131;&#163;&#172;&#240;           > 78 83 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001F0ACA373B0, 16 bytes long.
 Data: <P&#131;&#163;&#172;&#240;           > 50 83 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F0ACA31CB0, 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 0x000001F0ACA37770, 16 bytes long.
 Data: <(&#131;&#163;&#172;&#240;           > 28 83 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F0ACA37680, 16 bytes long.
 Data: < &#131;&#163;&#172;&#240;           > 00 83 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F0ACA37220, 16 bytes long.
 Data: <&#216;&#130;&#163;&#172;&#240;           > D8 82 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F0ACA37720, 16 bytes long.
 Data: <&#176;&#130;&#163;&#172;&#240;           > B0 82 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F0ACA2FB50, 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 0x000001F0ACA37EF0, 16 bytes long.
 Data: <&#200; &#162;&#172;&#240;           > C8 0D A2 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F0ACA32910, 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 0x000001F0ACA37310, 16 bytes long.
 Data: <&#160; &#162;&#172;&#240;           > A0 0D A2 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F0ACA379F0, 16 bytes long.
 Data: <x &#162;&#172;&#240;           > 78 0D A2 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F0ACA372C0, 16 bytes long.
 Data: <P &#162;&#172;&#240;           > 50 0D A2 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F0ACA37D60, 16 bytes long.
 Data: <( &#162;&#172;&#240;           > 28 0D A2 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F0ACA37AE0, 16 bytes long.
 Data: <  &#162;&#172;&#240;           > 00 0D A2 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F0ACA37130, 16 bytes long.
 Data: <&#216; &#162;&#172;&#240;           > D8 0C A2 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F0ACA32A90, 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 0x000001F0ACA374F0, 16 bytes long.
 Data: <&#176; &#162;&#172;&#240;           > B0 0C A2 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F0ACA20CB0, 320 bytes long.
 Data: <&#240;t&#163;&#172;&#240;    *&#163;&#172;&#240;   > F0 74 A3 AC F0 01 00 00 90 2A A3 AC F0 01 00 00 
{281} normal block at 0x000001F0ACA37A40, 16 bytes long.
 Data: < &#130;&#163;&#172;&#240;           > 90 82 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F0ACA37900, 16 bytes long.
 Data: <h&#130;&#163;&#172;&#240;           > 68 82 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F0ACA32A30, 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 0x000001F0ACA37270, 16 bytes long.
 Data: <@&#130;&#163;&#172;&#240;           > 40 82 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F0ACA321F0, 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 0x000001F0ACA37450, 16 bytes long.
 Data: <  &#163;&#172;&#240;           > 88 81 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F0ACA37090, 16 bytes long.
 Data: <` &#163;&#172;&#240;           > 60 81 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F0ACA371D0, 16 bytes long.
 Data: <8 &#163;&#172;&#240;           > 38 81 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F0ACA37F40, 16 bytes long.
 Data: <  &#163;&#172;&#240;           > 10 81 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F0ACA37180, 16 bytes long.
 Data: <&#232; &#163;&#172;&#240;           > E8 80 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F0ACA37360, 16 bytes long.
 Data: <&#192; &#163;&#172;&#240;           > C0 80 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F0ACA37400, 16 bytes long.
 Data: <&#224;&#250;&#162;&#172;&#240;           > E0 FA A2 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F0ACA2FAE0, 40 bytes long.
 Data: < t&#163;&#172;&#240;    &#217;}&#174;&#240;   > 00 74 A3 AC F0 01 00 00 10 D9 7D AE F0 01 00 00 
{267} normal block at 0x000001F0ACA37DB0, 16 bytes long.
 Data: <&#160; &#163;&#172;&#240;           > A0 80 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F0ACA37A90, 16 bytes long.
 Data: <x &#163;&#172;&#240;           > 78 80 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F0ACA328B0, 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 0x000001F0ACA37B30, 16 bytes long.
 Data: <P &#163;&#172;&#240;           > 50 80 A3 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F0ACA38050, 992 bytes long.
 Data: <0{&#163;&#172;&#240;   &#176;(&#163;&#172;&#240;   > 30 7B A3 AC F0 01 00 00 B0 28 A3 AC F0 01 00 00 
{99} normal block at 0x000001F0ACA320D0, 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 0x000001F0ACA2EEB0, 16 bytes long.
 Data: <p&#250;&#162;&#172;&#240;           > 70 FA A2 AC F0 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001F0ACA2FA70, 40 bytes long.
 Data: <&#176;&#238;&#162;&#172;&#240;   &#208; &#163;&#172;&#240;   > B0 EE A2 AC F0 01 00 00 D0 20 A3 AC F0 01 00 00 
{76} normal block at 0x000001F0ACA2EE10, 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 0x000001F0ACA2F630, 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 0x000001F0ACA2F040, 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 0x000001F0ACA2F270, 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 0x000001F0ACA2F0E0, 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 0x000001F0ACA2F5E0, 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 0x000001F0ACA2E8C0, 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 0x000001F0ACA2EFF0, 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 0x000001F0ACA2EC80, 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 0x000001F0ACA2EC30, 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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