Task 38683296

Name test_157-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND9681_0
Workunit 31624868
Created 27 Oct 2026, 11:16:51 UTC
Sent 27 Oct 2026, 11:16:58 UTC
Report deadline 1 Nov 2026, 11:16:58 UTC
Received 27 Oct 2026, 12:00:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638094
Run time 21 min 43 sec
CPU time 19 min 45 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 41,014.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.05 MB
Peak swap size 12.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
22:39:04 (31528): wrapper (7.9.26016): starting
22:39:04 (31528): 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
22:39:05 (31528): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:39:05 (31528): 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\34\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\34\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
22:59:51 (31528): C:/Windows/system32/cmd.exe exited; CPU time 1185.875000
22:59:51 (31528): 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: 23135141 bytes.
Dumping objects ->
{3835653} normal block at 0x00000243410CCBA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835642} normal block at 0x00000243410CCF90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835631} normal block at 0x000002433F3E48D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835620} normal block at 0x000002433F3E4A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835609} normal block at 0x000002433F3E4940, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835578} normal block at 0x0000024341119AA0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835567} normal block at 0x000002434112EEA0, 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) : {3835564} normal block at 0x000002433F3DEE50, 8 bytes long.
 Data: <  9?C   > 00 00 39 3F 43 02 00 00 
{3834735} normal block at 0x000002434112E870, 102 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 0x000002433F3DF7B0, 8 bytes long.
 Data: <&#160;@>?C   > A0 40 3E 3F 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002433F3E16C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002433F3D6870, 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 0x000002433F3E63E0, 16 bytes long.
 Data: <&#200;g>?C           > C8 67 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002433F3E5990, 16 bytes long.
 Data: <&#160;g>?C           > A0 67 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002433F3DDD70, 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 0x000002433F3E6020, 16 bytes long.
 Data: <xg>?C           > 78 67 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002433F3E5940, 16 bytes long.
 Data: <Pg>?C           > 50 67 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002433F3E5580, 16 bytes long.
 Data: <(g>?C           > 28 67 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002433F3E6110, 16 bytes long.
 Data: < g>?C           > 00 67 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002433F3E4780, 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 0x000002433F3E5FD0, 16 bytes long.
 Data: <xS>?C           > 78 53 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002433F3DDA70, 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 0x000002433F3E5A30, 16 bytes long.
 Data: <PS>?C           > 50 53 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002433F3E58A0, 16 bytes long.
 Data: <(S>?C           > 28 53 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002433F3E60C0, 16 bytes long.
 Data: < S>?C           > 00 53 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002433F3E5850, 16 bytes long.
 Data: <&#216;R>?C           > D8 52 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002433F3E6070, 16 bytes long.
 Data: <&#176;R>?C           > B0 52 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002433F3E55D0, 16 bytes long.
 Data: < R>?C           > 88 52 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002433F3DD350, 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 0x000002433F3E62F0, 16 bytes long.
 Data: <`R>?C           > 60 52 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002433F3E5260, 320 bytes long.
 Data: <&#240;b>?C   P&#211;=?C   > F0 62 3E 3F 43 02 00 00 50 D3 3D 3F 43 02 00 00 
{281} normal block at 0x000002433F3E5800, 16 bytes long.
 Data: <&#224;f>?C           > E0 66 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002433F3E5F80, 16 bytes long.
 Data: <&#184;f>?C           > B8 66 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002433F3DE0D0, 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 0x000002433F3E5D50, 16 bytes long.
 Data: < f>?C           > 90 66 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002433F3DD2F0, 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 0x000002433F3E5530, 16 bytes long.
 Data: <&#216;e>?C           > D8 65 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002433F3E5B70, 16 bytes long.
 Data: <&#176;e>?C           > B0 65 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002433F3E57B0, 16 bytes long.
 Data: < e>?C           > 88 65 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002433F3E5F30, 16 bytes long.
 Data: <`e>?C           > 60 65 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002433F3E5EE0, 16 bytes long.
 Data: <8e>?C           > 38 65 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002433F3E5E90, 16 bytes long.
 Data: < e>?C           > 10 65 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002433F3E6160, 16 bytes long.
 Data: <&#224;K>?C           > E0 4B 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002433F3E4BE0, 40 bytes long.
 Data: <`a>?C   &#160;&#154; AC   > 60 61 3E 3F 43 02 00 00 A0 9A 11 41 43 02 00 00 
{267} normal block at 0x000002433F3E5760, 16 bytes long.
 Data: <&#240;d>?C           > F0 64 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002433F3E58F0, 16 bytes long.
 Data: <&#200;d>?C           > C8 64 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002433F3DE130, 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 0x000002433F3E6390, 16 bytes long.
 Data: <&#160;d>?C           > A0 64 3E 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002433F3E64A0, 992 bytes long.
 Data: < c>?C   0&#225;=?C   > 90 63 3E 3F 43 02 00 00 30 E1 3D 3F 43 02 00 00 
{99} normal block at 0x000002433F3DD6B0, 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 0x000002433F3DF210, 16 bytes long.
 Data: < &#230;<?C           > 90 E6 3C 3F 43 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002433F3CE690, 40 bytes long.
 Data: < &#242;=?C   &#176;&#214;=?C   > 10 F2 3D 3F 43 02 00 00 B0 D6 3D 3F 43 02 00 00 
{76} normal block at 0x000002433F3DF440, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002433F3DF5D0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002433F3DF800, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002433F3DF350, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002433F3DF1C0, 16 bytes long.
 Data: <P   &#247;           > 50 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002433F3DF170, 16 bytes long.
 Data: <0   &#247;           > 30 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002433F3DEB80, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002433F3DF120, 16 bytes long.
 Data: <    &#247;           > 10 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002433F3DF0D0, 16 bytes long.
 Data: <p   &#247;           > 70 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002433F3DF080, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0E 80 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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