Task 38684481

Name test_370-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND8974_0
Workunit 31625995
Created 27 Oct 2026, 16:35:28 UTC
Sent 27 Oct 2026, 16:35:32 UTC
Report deadline 1 Nov 2026, 16:35:32 UTC
Received 27 Oct 2026, 17:00:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625863
Run time 24 min 24 sec
CPU time 23 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,064.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.86 MB
Peak swap size 13.04 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:36:30 (7640): wrapper (7.9.26016): starting
18:36:30 (7640): 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
18:36:31 (7640): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:36:31 (7640): 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\19\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\19\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
19:00:02 (7640): C:/Windows/system32/cmd.exe exited; CPU time 1380.625000
19:00:02 (7640): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 28104361 bytes.
Dumping objects ->
{3835575} normal block at 0x000001F451DEAEA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x000001F451DEADC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835553} normal block at 0x000001F451DEAD50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835542} normal block at 0x000001F451DEAE30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835531} normal block at 0x000001F451DC5440, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835500} normal block at 0x000001F453B75530, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x000001F451E1E3A0, 140 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) : {3835486} normal block at 0x000001F451DBB6E0, 8 bytes long.
 Data: <  6R&#244;   > 00 00 36 52 F4 01 00 00 
{3834707} normal block at 0x000001F451E1E2D0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833975} normal block at 0x000001F451DBB460, 8 bytes long.
 Data: <@&#222;&#218;Q&#244;   > 40 DE DA 51 F4 01 00 00 
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000001F451DC27C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{304} normal block at 0x000001F451DB64F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{303} normal block at 0x000001F451DC6390, 16 bytes long.
 Data: <xq&#220;Q&#244;           > 78 71 DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001F451DC6890, 16 bytes long.
 Data: <Pq&#220;Q&#244;           > 50 71 DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x000001F451DBF6B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{300} normal block at 0x000001F451DC6840, 16 bytes long.
 Data: <(q&#220;Q&#244;           > 28 71 DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F451DC62F0, 16 bytes long.
 Data: < q&#220;Q&#244;           > 00 71 DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001F451DC67A0, 16 bytes long.
 Data: <&#216;p&#220;Q&#244;           > D8 70 DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F451DC69D0, 16 bytes long.
 Data: <&#176;p&#220;Q&#244;           > B0 70 DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F451DC54B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{295} normal block at 0x000001F451DC6750, 16 bytes long.
 Data: <X &#219;Q&#244;           > 58 05 DB 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F451DBED50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{293} normal block at 0x000001F451DC6200, 16 bytes long.
 Data: <0 &#219;Q&#244;           > 30 05 DB 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F451DC6BB0, 16 bytes long.
 Data: <  &#219;Q&#244;           > 08 05 DB 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F451DC6160, 16 bytes long.
 Data: <&#224; &#219;Q&#244;           > E0 04 DB 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F451DC67F0, 16 bytes long.
 Data: <&#184; &#219;Q&#244;           > B8 04 DB 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F451DC61B0, 16 bytes long.
 Data: <  &#219;Q&#244;           > 90 04 DB 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F451DC6B60, 16 bytes long.
 Data: <h &#219;Q&#244;           > 68 04 DB 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F451DBEF90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{285} normal block at 0x000001F451DC62A0, 16 bytes long.
 Data: <@ &#219;Q&#244;           > 40 04 DB 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F451DB0440, 320 bytes long.
 Data: <&#160;b&#220;Q&#244;    &#239;&#219;Q&#244;   > A0 62 DC 51 F4 01 00 00 90 EF DB 51 F4 01 00 00 
{283} normal block at 0x000001F451DC60C0, 16 bytes long.
 Data: < p&#220;Q&#244;           > 90 70 DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F451DC6B10, 16 bytes long.
 Data: <hp&#220;Q&#244;           > 68 70 DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F451DBF470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{280} normal block at 0x000001F451DC6700, 16 bytes long.
 Data: <@p&#220;Q&#244;           > 40 70 DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F451DBF290, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{278} normal block at 0x000001F451DC63E0, 16 bytes long.
 Data: < o&#220;Q&#244;           > 88 6F DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F451DC6070, 16 bytes long.
 Data: <`o&#220;Q&#244;           > 60 6F DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F451DC6110, 16 bytes long.
 Data: <8o&#220;Q&#244;           > 38 6F DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F451DC66B0, 16 bytes long.
 Data: < o&#220;Q&#244;           > 10 6F DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F451DC6020, 16 bytes long.
 Data: <&#232;n&#220;Q&#244;           > E8 6E DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F451DC6660, 16 bytes long.
 Data: <&#192;n&#220;Q&#244;           > C0 6E DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F451DC6610, 16 bytes long.
 Data: <`S&#220;Q&#244;           > 60 53 DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F451DC5360, 40 bytes long.
 Data: < f&#220;Q&#244;   0U&#183;S&#244;   > 10 66 DC 51 F4 01 00 00 30 55 B7 53 F4 01 00 00 
{269} normal block at 0x000001F451DC5FD0, 16 bytes long.
 Data: <&#160;n&#220;Q&#244;           > A0 6E DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F451DC6520, 16 bytes long.
 Data: <xn&#220;Q&#244;           > 78 6E DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F451DBEC30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{266} normal block at 0x000001F451DC6340, 16 bytes long.
 Data: <Pn&#220;Q&#244;           > 50 6E DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F451DC6E50, 992 bytes long.
 Data: <@c&#220;Q&#244;   0&#236;&#219;Q&#244;   > 40 63 DC 51 F4 01 00 00 30 EC DB 51 F4 01 00 00 
{101} normal block at 0x000001F451DBF410, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{100} normal block at 0x000001F451DBAEC0, 16 bytes long.
 Data: <&#240;R&#220;Q&#244;           > F0 52 DC 51 F4 01 00 00 00 00 00 00 00 00 00 00 
{99} normal block at 0x000001F451DC52F0, 40 bytes long.
 Data: <&#192;&#174;&#219;Q&#244;    &#244;&#219;Q&#244;   > C0 AE DB 51 F4 01 00 00 10 F4 DB 51 F4 01 00 00 
{78} normal block at 0x000001F451DBB730, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x000001F451DBB2D0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x000001F451DBB3C0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001F451DBAAB0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001F451DBB410, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001F451DBAB00, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F451DBB1E0, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F451DBB000, 16 bytes long.
 Data: <    &#247;           > 10 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F451DBAD80, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F451DBB0F0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 8D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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