Task 38670645

Name test_855-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND6200_0
Workunit 31612880
Created 25 Oct 2026, 18:10:02 UTC
Sent 25 Oct 2026, 18:10:11 UTC
Report deadline 30 Oct 2026, 18:10:11 UTC
Received 25 Oct 2026, 18:44:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 615534
Run time 33 min 19 sec
CPU time 30 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,066.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.99 MB
Peak swap size 3.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
19:11:54 (11956): wrapper (7.9.26016): starting
19:11:54 (11956): 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
19:11:55 (11956): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:11:55 (11956): 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\6\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\6\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
19:43:51 (11956): C:/Windows/system32/cmd.exe exited; CPU time 1838.078125
19:43:51 (11956): called boinc_finish(0)
0 bytes in 0 Free Blocks.
538 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: 25536827 bytes.
Dumping objects ->
{3835311} normal block at 0x0000025E31278F50, 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 0x0000025E31279500, 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 0x0000025E31254150, 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 0x0000025E312542A0, 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 0x0000025E312541C0, 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 0x0000025E32F16AF0, 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 0x0000025E312B98C0, 141 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 0x0000025E3124F3B0, 8 bytes long.
 Data: <  t1^   > 00 00 74 31 5E 02 00 00 
{3834575} normal block at 0x0000025E312B94B0, 141 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000025E3124ED20, 8 bytes long.
 Data: <&#176;4&#247;2^   > B0 34 F7 32 5E 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000025E3123FDE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025E3123ED40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000025E31255160, 16 bytes long.
 Data: <&#200;\%1^           > C8 5C 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025E31254FD0, 16 bytes long.
 Data: <&#160;\%1^           > A0 5C 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025E31250430, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000025E31255610, 16 bytes long.
 Data: <x\%1^           > 78 5C 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025E31254CB0, 16 bytes long.
 Data: <P\%1^           > 50 5C 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025E312554D0, 16 bytes long.
 Data: <(\%1^           > 28 5C 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025E31254C60, 16 bytes long.
 Data: < \%1^           > 00 5C 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025E31253DD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000025E312549E0, 16 bytes long.
 Data: <&#232; $1^           > E8 1A 24 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025E3124FDD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000025E31254B20, 16 bytes long.
 Data: <&#192; $1^           > C0 1A 24 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025E312556B0, 16 bytes long.
 Data: <  $1^           > 98 1A 24 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025E312555C0, 16 bytes long.
 Data: <p $1^           > 70 1A 24 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025E31255480, 16 bytes long.
 Data: <H $1^           > 48 1A 24 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000025E312552A0, 16 bytes long.
 Data: <  $1^           > 20 1A 24 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025E31254F80, 16 bytes long.
 Data: <&#248; $1^           > F8 19 24 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000025E312506D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000025E31255840, 16 bytes long.
 Data: <&#208; $1^           > D0 19 24 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025E312419D0, 320 bytes long.
 Data: <@X%1^   &#208; %1^   > 40 58 25 31 5E 02 00 00 D0 06 25 31 5E 02 00 00 
{274} normal block at 0x0000025E31255110, 16 bytes long.
 Data: <&#224;[%1^           > E0 5B 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025E31254D50, 16 bytes long.
 Data: <&#184;[%1^           > B8 5B 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025E3124FA70, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000025E31254AD0, 16 bytes long.
 Data: < [%1^           > 90 5B 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025E31250670, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000025E31254EE0, 16 bytes long.
 Data: <&#216;Z%1^           > D8 5A 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025E31255020, 16 bytes long.
 Data: <&#176;Z%1^           > B0 5A 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025E312553E0, 16 bytes long.
 Data: < Z%1^           > 88 5A 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025E31254F30, 16 bytes long.
 Data: <`Z%1^           > 60 5A 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025E31255570, 16 bytes long.
 Data: <8Z%1^           > 38 5A 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025E31255660, 16 bytes long.
 Data: < Z%1^           > 10 5A 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025E31255700, 16 bytes long.
 Data: <&#208;D%1^           > D0 44 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025E312544D0, 40 bytes long.
 Data: < W%1^   &#240;j&#241;2^   > 00 57 25 31 5E 02 00 00 F0 6A F1 32 5E 02 00 00 
{260} normal block at 0x0000025E31255430, 16 bytes long.
 Data: <&#240;Y%1^           > F0 59 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025E312552F0, 16 bytes long.
 Data: <&#200;Y%1^           > C8 59 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000025E312501F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000025E31255200, 16 bytes long.
 Data: <&#160;Y%1^           > A0 59 25 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000025E312559A0, 992 bytes long.
 Data: < R%1^   &#240; %1^   > 00 52 25 31 5E 02 00 00 F0 01 25 31 5E 02 00 00 
{92} normal block at 0x0000025E3124FB90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000025E3124F630, 16 bytes long.
 Data: <` $1^           > 60 19 24 31 5E 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000025E31241960, 40 bytes long.
 Data: <0&#246;$1^    &#251;$1^   > 30 F6 24 31 5E 02 00 00 90 FB 24 31 5E 02 00 00 
{69} normal block at 0x0000025E3124F860, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025E3124EE10, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025E3124EA50, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025E3124F4A0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025E3124EEB0, 16 bytes long.
 Data: <P   &#247;           > 50 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025E3124EE60, 16 bytes long.
 Data: <0   &#247;           > 30 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025E3124F090, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025E3124EB90, 16 bytes long.
 Data: <    &#247;           > 10 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025E3124EB40, 16 bytes long.
 Data: <p   &#247;           > 70 04 0F 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000025E3124EA00, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 0D 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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