Task 38685288

Name test_949-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8305_0
Workunit 31626763
Created 27 Oct 2026, 20:19:50 UTC
Sent 27 Oct 2026, 20:19:52 UTC
Report deadline 1 Nov 2026, 20:19:52 UTC
Received 27 Oct 2026, 22:15:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648831
Run time 28 min 39 sec
CPU time 25 min 33 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.03 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:39:32 (5020): wrapper (7.9.26016): starting
06:39:32 (5020): 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
06:39:34 (5020): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:39:34 (5020): 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\28\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\28\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
07:06:30 (5020): C:/Windows/system32/cmd.exe exited; CPU time 1533.109375
07:06:30 (5020): 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: 28730665 bytes.
Dumping objects ->
{3835370} normal block at 0x000001882FECD3B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835359} normal block at 0x000001882FECDB20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835348} normal block at 0x000001882FECDAB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835337} normal block at 0x000001882FECDDC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835326} normal block at 0x000001882FECD2D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835295} normal block at 0x0000018831FDD9A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x0000018831FF1CB0, 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) : {3835281} normal block at 0x000001882FE9E6B0, 8 bytes long.
 Data: <  '0    > 00 00 27 30 88 01 00 00 
{3834663} normal block at 0x0000018831FF25A0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x000001882FE9E610, 8 bytes long.
 Data: <pr 2    > 70 72 03 32 88 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001882FE99310, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001882FE91B00, 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 0x000001882FEA9E80, 16 bytes long.
 Data: < &#173; /            > F8 AD EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001882FEAA6A0, 16 bytes long.
 Data: <&#208;&#173; /            > D0 AD EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001882FEA60C0, 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 0x000001882FEAA560, 16 bytes long.
 Data: <&#168;&#173; /            > A8 AD EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001882FEAA4C0, 16 bytes long.
 Data: < &#173; /            > 80 AD EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001882FEAA600, 16 bytes long.
 Data: <X&#173; /            > 58 AD EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001882FEAA650, 16 bytes long.
 Data: <0&#173; /            > 30 AD EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001882FEA4850, 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 0x000001882FEAA470, 16 bytes long.
 Data: <X  /            > 58 ED E8 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001882FEA65A0, 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 0x000001882FEAA740, 16 bytes long.
 Data: <0  /            > 30 ED E8 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001882FEAA1F0, 16 bytes long.
 Data: <   /            > 08 ED E8 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001882FEAAA10, 16 bytes long.
 Data: <   /            > E0 EC E8 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001882FEAA3D0, 16 bytes long.
 Data: <&#184;  /            > B8 EC E8 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001882FEA9E30, 16 bytes long.
 Data: <   /            > 90 EC E8 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001882FEA9C00, 16 bytes long.
 Data: <h  /            > 68 EC E8 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001882FEA58E0, 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 0x000001882FEAA9C0, 16 bytes long.
 Data: <@  /            > 40 EC E8 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001882FE8EC40, 320 bytes long.
 Data: <&#192;&#169; /     X /    > C0 A9 EA 2F 88 01 00 00 E0 58 EA 2F 88 01 00 00 
{277} normal block at 0x000001882FEAA510, 16 bytes long.
 Data: < &#173; /            > 10 AD EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001882FEAA380, 16 bytes long.
 Data: < &#172; /            > E8 AC EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001882FEA5CA0, 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 0x000001882FEA9C50, 16 bytes long.
 Data: <&#192;&#172; /            > C0 AC EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001882FEA5E20, 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 0x000001882FEAA880, 16 bytes long.
 Data: < &#172; /            > 08 AC EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001882FEAA330, 16 bytes long.
 Data: < &#171; /            > E0 AB EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001882FEAA100, 16 bytes long.
 Data: <&#184;&#171; /            > B8 AB EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001882FEA9CA0, 16 bytes long.
 Data: < &#171; /            > 90 AB EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001882FEAA290, 16 bytes long.
 Data: <h&#171; /            > 68 AB EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001882FEAA6F0, 16 bytes long.
 Data: <@&#171; /            > 40 AB EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001882FEA9ED0, 16 bytes long.
 Data: <&#208;D /            > D0 44 EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001882FEA44D0, 40 bytes long.
 Data: <&#208;  /     &#217; 1    > D0 9E EA 2F 88 01 00 00 A0 D9 FD 31 88 01 00 00 
{263} normal block at 0x000001882FEAA8D0, 16 bytes long.
 Data: < &#171; /            > 20 AB EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001882FEAA2E0, 16 bytes long.
 Data: < &#170; /            > F8 AA EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001882FEA5D00, 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 0x000001882FEAA5B0, 16 bytes long.
 Data: <&#208;&#170; /            > D0 AA EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001882FEAAAD0, 992 bytes long.
 Data: <&#176;&#165; /     ] /    > B0 A5 EA 2F 88 01 00 00 00 5D EA 2F 88 01 00 00 
{95} normal block at 0x000001882FEA6420, 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 0x000001882FE9DEE0, 16 bytes long.
 Data: < B /            > A0 42 EA 2F 88 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001882FEA42A0, 40 bytes long.
 Data: < &#222; /     d /    > E0 DE E9 2F 88 01 00 00 20 64 EA 2F 88 01 00 00 
{70} normal block at 0x000001882FE9E660, 16 bytes long.
 Data: <   ;            > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001882FE9E5C0, 16 bytes long.
 Data: <@  ;            > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001882FE9DCB0, 16 bytes long.
 Data: < W ;            > F8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001882FE9E480, 16 bytes long.
 Data: <&#216;W ;            > D8 57 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001882FE9DE40, 16 bytes long.
 Data: <P  ;            > 50 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001882FE9E7A0, 16 bytes long.
 Data: <0  ;            > 30 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001882FE9DF80, 16 bytes long.
 Data: <   ;            > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001882FE9DE90, 16 bytes long.
 Data: <   ;            > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001882FE9E750, 16 bytes long.
 Data: <p  ;            > 70 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001882FE9E980, 16 bytes long.
 Data: < &#192; :            > 18 C0 FE 3A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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