Task 38681537

Name test_227-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND0494_0
Workunit 31623198
Created 27 Oct 2026, 4:23:24 UTC
Sent 27 Oct 2026, 4:23:28 UTC
Report deadline 1 Nov 2026, 4:23:28 UTC
Received 27 Oct 2026, 4:51:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648534
Run time 25 min 14 sec
CPU time 25 min 14 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 56,774.19 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.02 MB
Peak swap size 11.54 GB
Peak disk usage 3.92 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:24:35 (5124): wrapper (7.9.26016): starting
05:24:35 (5124): 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
05:24:36 (5124): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:24:36 (5124): 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\26\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\26\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
05:51:11 (5124): C:/Windows/system32/cmd.exe exited; CPU time 1514.296875
05:51:11 (5124): 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: 35761279 bytes.
Dumping objects ->
{3835281} normal block at 0x000001F525BAA9F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835270} normal block at 0x000001F525BAA280, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x000001F525BAA2F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835248} normal block at 0x000001F523F42BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x000001F523F42B70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835206} normal block at 0x000001F525BF7FF0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001F525C0D0F0, 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) : {3835192} normal block at 0x000001F523F3DC90, 8 bytes long.
 Data: <  4$&#245;   > 00 00 34 24 F5 01 00 00 
{3834568} normal block at 0x000001F525C0C8B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001F523F3E4B0, 8 bytes long.
 Data: < |&#192;%&#245;   > 90 7C C0 25 F5 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001F523F36050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F523F376A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001F523F431F0, 16 bytes long.
 Data: < F&#244;#&#245;           > 08 46 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F523F431A0, 16 bytes long.
 Data: <&#224;E&#244;#&#245;           > E0 45 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F523F3F2D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001F523F436A0, 16 bytes long.
 Data: <&#184;E&#244;#&#245;           > B8 45 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F523F436F0, 16 bytes long.
 Data: < E&#244;#&#245;           > 90 45 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F523F43A10, 16 bytes long.
 Data: <hE&#244;#&#245;           > 68 45 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F523F430B0, 16 bytes long.
 Data: <@E&#244;#&#245;           > 40 45 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F523F42CC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001F523F43150, 16 bytes long.
 Data: <&#168;&#238;&#242;#&#245;           > A8 EE F2 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F523F3F630, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001F523F432E0, 16 bytes long.
 Data: < &#238;&#242;#&#245;           > 80 EE F2 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F523F43C40, 16 bytes long.
 Data: <X&#238;&#242;#&#245;           > 58 EE F2 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F523F43060, 16 bytes long.
 Data: <0&#238;&#242;#&#245;           > 30 EE F2 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F523F438D0, 16 bytes long.
 Data: < &#238;&#242;#&#245;           > 08 EE F2 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F523F43510, 16 bytes long.
 Data: <&#224;&#237;&#242;#&#245;           > E0 ED F2 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F523F43240, 16 bytes long.
 Data: <&#184;&#237;&#242;#&#245;           > B8 ED F2 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F523F3EF70, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001F523F43010, 16 bytes long.
 Data: < &#237;&#242;#&#245;           > 90 ED F2 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F523F2ED90, 320 bytes long.
 Data: < 0&#244;#&#245;   p&#239;&#243;#&#245;   > 10 30 F4 23 F5 01 00 00 70 EF F3 23 F5 01 00 00 
{277} normal block at 0x000001F523F434C0, 16 bytes long.
 Data: < E&#244;#&#245;           > 20 45 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F523F43970, 16 bytes long.
 Data: <&#248;D&#244;#&#245;           > F8 44 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F523F3F5D0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001F523F43880, 16 bytes long.
 Data: <&#208;D&#244;#&#245;           > D0 44 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F523F3F150, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001F523F42F20, 16 bytes long.
 Data: < D&#244;#&#245;           > 18 44 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F523F43290, 16 bytes long.
 Data: <&#240;C&#244;#&#245;           > F0 43 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F523F42F70, 16 bytes long.
 Data: <&#200;C&#244;#&#245;           > C8 43 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F523F43920, 16 bytes long.
 Data: <&#160;C&#244;#&#245;           > A0 43 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F523F43420, 16 bytes long.
 Data: <xC&#244;#&#245;           > 78 43 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F523F43100, 16 bytes long.
 Data: <PC&#244;#&#245;           > 50 43 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F523F43E70, 16 bytes long.
 Data: <P,&#244;#&#245;           > 50 2C F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F523F42C50, 40 bytes long.
 Data: <p>&#244;#&#245;   &#240; &#191;%&#245;   > 70 3E F4 23 F5 01 00 00 F0 7F BF 25 F5 01 00 00 
{263} normal block at 0x000001F523F43830, 16 bytes long.
 Data: <0C&#244;#&#245;           > 30 43 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F523F42FC0, 16 bytes long.
 Data: < C&#244;#&#245;           > 08 43 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F523F3F030, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001F523F43470, 16 bytes long.
 Data: <&#224;B&#244;#&#245;           > E0 42 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F523F442E0, 992 bytes long.
 Data: <p4&#244;#&#245;   0&#240;&#243;#&#245;   > 70 34 F4 23 F5 01 00 00 30 F0 F3 23 F5 01 00 00 
{95} normal block at 0x000001F523F3F6F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001F523F3E320, 16 bytes long.
 Data: <@)&#244;#&#245;           > 40 29 F4 23 F5 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001F523F42940, 40 bytes long.
 Data: < &#227;&#243;#&#245;   &#240;&#246;&#243;#&#245;   > 20 E3 F3 23 F5 01 00 00 F0 F6 F3 23 F5 01 00 00 
{72} normal block at 0x000001F523F3E280, 16 bytes long.
 Data: < &#234; i&#246;           > 80 EA 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F523F3E370, 16 bytes long.
 Data: <@&#233; i&#246;           > 40 E9 01 69 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F523F3E140, 16 bytes long.
 Data: <&#248;W&#254;h&#246;           > F8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F523F3DD80, 16 bytes long.
 Data: <&#216;W&#254;h&#246;           > D8 57 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F523F3E3C0, 16 bytes long.
 Data: <P &#254;h&#246;           > 50 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F523F3D880, 16 bytes long.
 Data: <0 &#254;h&#246;           > 30 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F523F3E190, 16 bytes long.
 Data: <&#224; &#254;h&#246;           > E0 02 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F523F3E5A0, 16 bytes long.
 Data: <  &#254;h&#246;           > 10 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F523F3E640, 16 bytes long.
 Data: <p &#254;h&#246;           > 70 04 FE 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F523F3DC40, 16 bytes long.
 Data: < &#192;&#252;h&#246;           > 18 C0 FC 68 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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