Task 38680880

Name test_409-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND8877_0
Workunit 31622577
Created 27 Oct 2026, 2:03:07 UTC
Sent 27 Oct 2026, 2:03:11 UTC
Report deadline 1 Nov 2026, 2:03:11 UTC
Received 27 Oct 2026, 2:25:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629717
Run time 21 min 57 sec
CPU time 18 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 28,388.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 761.81 MB
Peak swap size 13.06 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
21:04:27 (60000): wrapper (7.9.26016): starting
21:04:27 (60000): 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
21:04:28 (60000): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:04:28 (60000): 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\31\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\31\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
21:25:17 (60000): C:/Windows/system32/cmd.exe exited; CPU time 1113.484375
21:25:17 (60000): 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: 35374345 bytes.
Dumping objects ->
{3835311} normal block at 0x000001F30B51B8B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835300} normal block at 0x000001F30B51B760, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001F30B51B990, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835278} normal block at 0x000001F30B51B220, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835267} normal block at 0x000001F30B51B370, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835236} normal block at 0x000001F30D0DD0D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001F30D13E790, 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) : {3835222} normal block at 0x000001F30B4EE710, 8 bytes long.
 Data: <  J &#243;   > 00 00 4A 0B F3 01 00 00 
{3834575} normal block at 0x000001F30D13E8F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001F30B4EEA80, 8 bytes long.
 Data: <&#176;H  &#243;   > B0 48 18 0D F3 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001F30B4E6600, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F30B4E7590, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001F30B4F5D60, 16 bytes long.
 Data: <XXO &#243;           > 58 58 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F30B4F5AE0, 16 bytes long.
 Data: <0XO &#243;           > 30 58 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F30B4F0B90, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001F30B4F5E50, 16 bytes long.
 Data: < XO &#243;           > 08 58 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F30B4F6530, 16 bytes long.
 Data: <&#224;WO &#243;           > E0 57 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F30B4F5A40, 16 bytes long.
 Data: <&#184;WO &#243;           > B8 57 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F30B4F59F0, 16 bytes long.
 Data: < WO &#243;           > 90 57 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F30B4F3E70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001F30B4F5B80, 16 bytes long.
 Data: < &#163;N &#243;           > 88 A3 4E 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F30B4F07D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001F30B4F63F0, 16 bytes long.
 Data: <`&#163;N &#243;           > 60 A3 4E 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F30B4F59A0, 16 bytes long.
 Data: <8&#163;N &#243;           > 38 A3 4E 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F30B4F6350, 16 bytes long.
 Data: < &#163;N &#243;           > 10 A3 4E 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F30B4F67B0, 16 bytes long.
 Data: <&#232;&#162;N &#243;           > E8 A2 4E 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F30B4F6620, 16 bytes long.
 Data: <&#192;&#162;N &#243;           > C0 A2 4E 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F30B4F61C0, 16 bytes long.
 Data: < &#162;N &#243;           > 98 A2 4E 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F30B4F0350, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001F30B4F6800, 16 bytes long.
 Data: <p&#162;N &#243;           > 70 A2 4E 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F30B4EA270, 320 bytes long.
 Data: < hO &#243;   P O &#243;   > 00 68 4F 0B F3 01 00 00 50 03 4F 0B F3 01 00 00 
{276} normal block at 0x000001F30B4F63A0, 16 bytes long.
 Data: <pWO &#243;           > 70 57 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F30B4F65D0, 16 bytes long.
 Data: <HWO &#243;           > 48 57 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F30B4F0710, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001F30B4F66C0, 16 bytes long.
 Data: < WO &#243;           > 20 57 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F30B4F0590, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001F30B4F6580, 16 bytes long.
 Data: <hVO &#243;           > 68 56 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F30B4F6670, 16 bytes long.
 Data: <@VO &#243;           > 40 56 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F30B4F6260, 16 bytes long.
 Data: < VO &#243;           > 18 56 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F30B4F6170, 16 bytes long.
 Data: <&#240;UO &#243;           > F0 55 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F30B4F6300, 16 bytes long.
 Data: <&#200;UO &#243;           > C8 55 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F30B4EEE40, 16 bytes long.
 Data: <&#160;UO &#243;           > A0 55 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F30B4EF070, 16 bytes long.
 Data: < >O &#243;           > 00 3E 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F30B4F3E00, 40 bytes long.
 Data: <p&#240;N &#243;   &#208;&#208;  &#243;   > 70 F0 4E 0B F3 01 00 00 D0 D0 0D 0D F3 01 00 00 
{262} normal block at 0x000001F30B4EE8F0, 16 bytes long.
 Data: < UO &#243;           > 80 55 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F30B4EE850, 16 bytes long.
 Data: <XUO &#243;           > 58 55 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F30B4F01D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001F30B4EEF80, 16 bytes long.
 Data: <0UO &#243;           > 30 55 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F30B4F5530, 992 bytes long.
 Data: < &#239;N &#243;   &#208; O &#243;   > 80 EF 4E 0B F3 01 00 00 D0 01 4F 0B F3 01 00 00 
{94} normal block at 0x000001F30B4EFF90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001F30B4EE530, 16 bytes long.
 Data: <09O &#243;           > 30 39 4F 0B F3 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001F30B4F3930, 40 bytes long.
 Data: <0&#229;N &#243;    &#255;N &#243;   > 30 E5 4E 0B F3 01 00 00 90 FF 4E 0B F3 01 00 00 
{71} normal block at 0x000001F30B4EED50, 16 bytes long.
 Data: < &#234;S&#137;&#246;           > 80 EA 53 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F30B4EF430, 16 bytes long.
 Data: <@&#233;S&#137;&#246;           > 40 E9 53 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F30B4EE940, 16 bytes long.
 Data: <&#248;WP&#137;&#246;           > F8 57 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F30B4EE4E0, 16 bytes long.
 Data: <&#216;WP&#137;&#246;           > D8 57 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F30B4EE580, 16 bytes long.
 Data: <P P&#137;&#246;           > 50 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F30B4EEBC0, 16 bytes long.
 Data: <0 P&#137;&#246;           > 30 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F30B4EE5D0, 16 bytes long.
 Data: <&#224; P&#137;&#246;           > E0 02 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F30B4EF2A0, 16 bytes long.
 Data: <  P&#137;&#246;           > 10 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F30B4EF250, 16 bytes long.
 Data: <p P&#137;&#246;           > 70 04 50 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F30B4EF110, 16 bytes long.
 Data: < &#192;N&#137;&#246;           > 18 C0 4E 89 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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