Task 38685570

Name test_800-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND1041_0
Workunit 31627033
Created 27 Oct 2026, 21:46:40 UTC
Sent 27 Oct 2026, 21:46:43 UTC
Report deadline 1 Nov 2026, 21:46:43 UTC
Received 27 Oct 2026, 23:14:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648831
Run time 28 min 34 sec
CPU time 25 min 34 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 730.51 MB
Peak swap size 13.14 GB
Peak disk usage 4.06 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:36:24 (13004): wrapper (7.9.26016): starting
07:36:24 (13004): 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
07:36:26 (13004): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:36:26 (13004): 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
08:03:17 (13004): C:/Windows/system32/cmd.exe exited; CPU time 1534.890625
08:03:17 (13004): 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: 28708259 bytes.
Dumping objects ->
{3835370} normal block at 0x00000231F414D050, 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 0x00000231F414DC90, 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 0x00000231F414D590, 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 0x00000231F414DDE0, 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 0x00000231F414D830, 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 0x00000231F61AD260, 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 0x00000231F61C24F0, 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 0x00000231F411D9D0, 8 bytes long.
 Data: <    1   > 00 00 0C F4 31 02 00 00 
{3834663} normal block at 0x00000231F61C2650, 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 0x00000231F411D930, 8 bytes long.
 Data: < &#167;  1   > E0 A7 1F F6 31 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000231F4119120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000231F410EFD0, 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 0x00000231F412A230, 16 bytes long.
 Data: <&#168;&#173;  1           > A8 AD 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000231F4129BF0, 16 bytes long.
 Data: < &#173;  1           > 80 AD 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000231F41256D0, 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 0x00000231F412A6E0, 16 bytes long.
 Data: <X&#173;  1           > 58 AD 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000231F4129D30, 16 bytes long.
 Data: <0&#173;  1           > 30 AD 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000231F4129AB0, 16 bytes long.
 Data: < &#173;  1           > 08 AD 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000231F412A050, 16 bytes long.
 Data: < &#172;  1           > E0 AC 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000231F4124280, 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 0x00000231F4129BA0, 16 bytes long.
 Data: < Q  1           > 88 51 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000231F4125EB0, 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 0x00000231F4129A60, 16 bytes long.
 Data: <`Q  1           > 60 51 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000231F4129DD0, 16 bytes long.
 Data: <8Q  1           > 38 51 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000231F412A2D0, 16 bytes long.
 Data: < Q  1           > 10 51 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000231F4129B50, 16 bytes long.
 Data: < P  1           > E8 50 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000231F4129A10, 16 bytes long.
 Data: <&#192;P  1           > C0 50 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000231F4129880, 16 bytes long.
 Data: < P  1           > 98 50 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000231F4125970, 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 0x00000231F412A410, 16 bytes long.
 Data: <pP  1           > 70 50 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000231F4125070, 320 bytes long.
 Data: < &#164;  1   pY  1   > 10 A4 12 F4 31 02 00 00 70 59 12 F4 31 02 00 00 
{277} normal block at 0x00000231F412A730, 16 bytes long.
 Data: <&#192;&#172;  1           > C0 AC 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000231F41299C0, 16 bytes long.
 Data: < &#172;  1           > 98 AC 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000231F4125550, 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 0x00000231F4129970, 16 bytes long.
 Data: <p&#172;  1           > 70 AC 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000231F41259D0, 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 0x00000231F412A640, 16 bytes long.
 Data: <&#184;&#171;  1           > B8 AB 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000231F4129E70, 16 bytes long.
 Data: < &#171;  1           > 90 AB 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000231F4129E20, 16 bytes long.
 Data: <h&#171;  1           > 68 AB 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000231F4129920, 16 bytes long.
 Data: <@&#171;  1           > 40 AB 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000231F412A0F0, 16 bytes long.
 Data: < &#171;  1           > 18 AB 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000231F412A0A0, 16 bytes long.
 Data: < &#170;  1           > F0 AA 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000231F412A3C0, 16 bytes long.
 Data: < ?  1           > 00 3F 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000231F4123F00, 40 bytes long.
 Data: <&#192;&#163;  1   `&#210;  1   > C0 A3 12 F4 31 02 00 00 60 D2 1A F6 31 02 00 00 
{263} normal block at 0x00000231F41297E0, 16 bytes long.
 Data: <&#208;&#170;  1           > D0 AA 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000231F412A550, 16 bytes long.
 Data: <&#168;&#170;  1           > A8 AA 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000231F4125F10, 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 0x00000231F4129C40, 16 bytes long.
 Data: < &#170;  1           > 80 AA 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000231F412AA80, 992 bytes long.
 Data: <@   1    _  1   > 40 9C 12 F4 31 02 00 00 10 5F 12 F4 31 02 00 00 
{95} normal block at 0x00000231F4125FD0, 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 0x00000231F411E600, 16 bytes long.
 Data: <&#176;D  1           > B0 44 12 F4 31 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000231F41244B0, 40 bytes long.
 Data: <    1   &#208;_  1   > 00 E6 11 F4 31 02 00 00 D0 5F 12 F4 31 02 00 00 
{70} normal block at 0x00000231F411E150, 16 bytes long.
 Data: <   ;            > 80 EA 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000231F411E470, 16 bytes long.
 Data: <@  ;            > 40 E9 03 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000231F411DA70, 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 0x00000231F411E5B0, 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 0x00000231F411DF70, 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 0x00000231F411DE80, 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 0x00000231F411D7F0, 16 bytes long.
 Data: <   ;            > E0 02 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000231F411DF20, 16 bytes long.
 Data: <   ;            > 10 04 00 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000231F411E650, 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 0x00000231F411E1A0, 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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