Task 38666007

Name test_166-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND4596_0
Workunit 31609041
Created 25 Oct 2026, 1:55:17 UTC
Sent 25 Oct 2026, 2:07:33 UTC
Report deadline 30 Oct 2026, 2:07:33 UTC
Received 25 Oct 2026, 3:19:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629480
Run time 25 min 40 sec
CPU time 24 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,590.50 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 741.52 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
21:54:18 (42512): wrapper (7.9.26016): starting
21:54:18 (42512): 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
21:54:20 (42512): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:54:20 (42512): 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\1\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\1\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
22:18:48 (42512): C:/Windows/system32/cmd.exe exited; CPU time 1445.531250
22:18:48 (42512): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 31635741 bytes.
Dumping objects ->
{3835519} normal block at 0x00000231A0E1DEA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x00000231A0E1DB20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835497} normal block at 0x00000231A0E1D8F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835486} normal block at 0x000002319F074B10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000002319F074A30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835444} normal block at 0x00000231A0E65180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835431} normal block at 0x000002319F06E9F0, 8 bytes long.
 Data: <  U&#159;1   > 00 00 55 9F 31 02 00 00 
{3833959} normal block at 0x000002319F06F1C0, 8 bytes long.
 Data: < @ &#159;1   > 20 40 07 9F 31 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002319F070790, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002319F066340, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002319F0760D0, 16 bytes long.
 Data: <&#168;e &#159;1           > A8 65 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002319F075860, 16 bytes long.
 Data: < e &#159;1           > 80 65 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002319F06FC60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002319F0759A0, 16 bytes long.
 Data: <Xe &#159;1           > 58 65 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002319F075D60, 16 bytes long.
 Data: <0e &#159;1           > 30 65 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002319F075DB0, 16 bytes long.
 Data: < e &#159;1           > 08 65 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002319F076210, 16 bytes long.
 Data: <&#224;d &#159;1           > E0 64 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002319F074950, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002319F075C70, 16 bytes long.
 Data: <&#216;&#181; &#159;1           > D8 B5 05 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002319F070200, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002319F0756D0, 16 bytes long.
 Data: <&#176;&#181; &#159;1           > B0 B5 05 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002319F075E00, 16 bytes long.
 Data: < &#181; &#159;1           > 88 B5 05 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002319F075F90, 16 bytes long.
 Data: <`&#181; &#159;1           > 60 B5 05 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002319F075CC0, 16 bytes long.
 Data: <8&#181; &#159;1           > 38 B5 05 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002319F076080, 16 bytes long.
 Data: < &#181; &#159;1           > 10 B5 05 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002319F0757C0, 16 bytes long.
 Data: <&#232;&#180; &#159;1           > E8 B4 05 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002319F06FF60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002319F075F40, 16 bytes long.
 Data: <&#192;&#180; &#159;1           > C0 B4 05 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002319F05B4C0, 320 bytes long.
 Data: <@_ &#159;1   `&#255; &#159;1   > 40 5F 07 9F 31 02 00 00 60 FF 06 9F 31 02 00 00 
{275} normal block at 0x000002319F075720, 16 bytes long.
 Data: <&#192;d &#159;1           > C0 64 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002319F076030, 16 bytes long.
 Data: < d &#159;1           > 98 64 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002319F06F8A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002319F075680, 16 bytes long.
 Data: <pd &#159;1           > 70 64 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002319F070440, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002319F075630, 16 bytes long.
 Data: <&#184;c &#159;1           > B8 63 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002319F075D10, 16 bytes long.
 Data: < c &#159;1           > 90 63 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002319F0755E0, 16 bytes long.
 Data: <hc &#159;1           > 68 63 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002319F075590, 16 bytes long.
 Data: <@c &#159;1           > 40 63 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002319F075900, 16 bytes long.
 Data: < c &#159;1           > 18 63 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002319F0753B0, 16 bytes long.
 Data: <&#240;b &#159;1           > F0 62 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002319F075540, 16 bytes long.
 Data: <@M &#159;1           > 40 4D 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002319F074D40, 40 bytes long.
 Data: <@U &#159;1    Q&#230;&#160;1   > 40 55 07 9F 31 02 00 00 80 51 E6 A0 31 02 00 00 
{261} normal block at 0x000002319F0754A0, 16 bytes long.
 Data: <&#208;b &#159;1           > D0 62 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002319F075360, 16 bytes long.
 Data: <&#168;b &#159;1           > A8 62 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002319F070140, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002319F075FE0, 16 bytes long.
 Data: < b &#159;1           > 80 62 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002319F076280, 992 bytes long.
 Data: <&#224;_ &#159;1   @  &#159;1   > E0 5F 07 9F 31 02 00 00 40 01 07 9F 31 02 00 00 
{93} normal block at 0x000002319F06FB40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002319F06EEA0, 16 bytes long.
 Data: < K &#159;1           > 80 4B 07 9F 31 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002319F074B80, 40 bytes long.
 Data: <&#160;&#238; &#159;1   @&#251; &#159;1   > A0 EE 06 9F 31 02 00 00 40 FB 06 9F 31 02 00 00 
{70} normal block at 0x000002319F06F170, 16 bytes long.
 Data: < &#234;&#181;&#180;&#247;           > 80 EA B5 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002319F06F620, 16 bytes long.
 Data: <@&#233;&#181;&#180;&#247;           > 40 E9 B5 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002319F06F0D0, 16 bytes long.
 Data: <&#248;W&#178;&#180;&#247;           > F8 57 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002319F06EB80, 16 bytes long.
 Data: <&#216;W&#178;&#180;&#247;           > D8 57 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002319F06F080, 16 bytes long.
 Data: <P &#178;&#180;&#247;           > 50 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002319F06EB30, 16 bytes long.
 Data: <0 &#178;&#180;&#247;           > 30 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002319F06EEF0, 16 bytes long.
 Data: <&#224; &#178;&#180;&#247;           > E0 02 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002319F06F490, 16 bytes long.
 Data: <  &#178;&#180;&#247;           > 10 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002319F06E8B0, 16 bytes long.
 Data: <p &#178;&#180;&#247;           > 70 04 B2 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002319F06E770, 16 bytes long.
 Data: < &#192;&#176;&#180;&#247;           > 18 C0 B0 B4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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