Task 38678370

Name test_708-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8857_0
Workunit 31620191
Created 26 Oct 2026, 17:11:00 UTC
Sent 26 Oct 2026, 17:11:06 UTC
Report deadline 31 Oct 2026, 17:11:06 UTC
Received 26 Oct 2026, 18:01:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 622627
Run time 25 min 56 sec
CPU time 23 min 26 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,317.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.33 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:35:42 (28800): wrapper (7.9.26016): starting
14:35:42 (28800): 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
14:35:43 (28800): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:35:43 (28800): 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\7\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\7\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
15:00:56 (28800): C:/Windows/system32/cmd.exe exited; CPU time 1406.187500
15:00:56 (28800): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 27566935 bytes.
Dumping objects ->
{3835223} normal block at 0x00000158B5B47B40, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x00000158B5B47D70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x00000158B5B480F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x00000158B5B47980, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x00000158B5B478A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x00000158B780D1E0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835135} normal block at 0x00000158B5B1E650, 8 bytes long.
 Data: <  &#173;&#181;X   > 00 00 AD B5 58 01 00 00 
{3833977} normal block at 0x00000158B5B1E920, 8 bytes long.
 Data: < c}&#183;X   > 90 63 7D B7 58 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x00000158B5B1D570, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x00000158B5B176D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x00000158B5B24050, 16 bytes long.
 Data: <&#232;R&#178;&#181;X           > E8 52 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x00000158B5B24000, 16 bytes long.
 Data: <&#192;R&#178;&#181;X           > C0 52 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x00000158B5B1C020, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x00000158B5B24B90, 16 bytes long.
 Data: < R&#178;&#181;X           > 98 52 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000158B5B24C30, 16 bytes long.
 Data: <pR&#178;&#181;X           > 70 52 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000158B5B24960, 16 bytes long.
 Data: <HR&#178;&#181;X           > 48 52 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000158B5B247D0, 16 bytes long.
 Data: < R&#178;&#181;X           > 20 52 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000158B5B1F4F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x00000158B5B24320, 16 bytes long.
 Data: <h &#177;&#181;X           > 68 04 B1 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000158B5B1BFC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x00000158B5B24690, 16 bytes long.
 Data: <@ &#177;&#181;X           > 40 04 B1 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000158B5B24460, 16 bytes long.
 Data: <  &#177;&#181;X           > 18 04 B1 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000158B5B24280, 16 bytes long.
 Data: <&#240; &#177;&#181;X           > F0 03 B1 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000158B5B24410, 16 bytes long.
 Data: <&#200; &#177;&#181;X           > C8 03 B1 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000158B5B242D0, 16 bytes long.
 Data: <&#160; &#177;&#181;X           > A0 03 B1 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000158B5B24A50, 16 bytes long.
 Data: <x &#177;&#181;X           > 78 03 B1 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000158B5B1BF00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x00000158B5B24230, 16 bytes long.
 Data: <P &#177;&#181;X           > 50 03 B1 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000158B5B10350, 320 bytes long.
 Data: <0B&#178;&#181;X    &#191;&#177;&#181;X   > 30 42 B2 B5 58 01 00 00 00 BF B1 B5 58 01 00 00 
{284} normal block at 0x00000158B5B24D70, 16 bytes long.
 Data: < R&#178;&#181;X           > 00 52 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000158B5B24F50, 16 bytes long.
 Data: <&#216;Q&#178;&#181;X           > D8 51 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000158B5B1BDE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x00000158B5B24640, 16 bytes long.
 Data: <&#176;Q&#178;&#181;X           > B0 51 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000158B5B1C3E0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x00000158B5B245F0, 16 bytes long.
 Data: <&#248;P&#178;&#181;X           > F8 50 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000158B5B24730, 16 bytes long.
 Data: <&#208;P&#178;&#181;X           > D0 50 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000158B5B24AF0, 16 bytes long.
 Data: <&#168;P&#178;&#181;X           > A8 50 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000158B5B24D20, 16 bytes long.
 Data: < P&#178;&#181;X           > 80 50 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000158B5B24820, 16 bytes long.
 Data: <XP&#178;&#181;X           > 58 50 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000158B5B244B0, 16 bytes long.
 Data: <0P&#178;&#181;X           > 30 50 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000158B5B240A0, 16 bytes long.
 Data: <0&#243;&#177;&#181;X           > 30 F3 B1 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000158B5B1F330, 40 bytes long.
 Data: <&#160;@&#178;&#181;X   &#224;&#209; &#183;X   > A0 40 B2 B5 58 01 00 00 E0 D1 80 B7 58 01 00 00 
{270} normal block at 0x00000158B5B24370, 16 bytes long.
 Data: < P&#178;&#181;X           > 10 50 B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000158B5B24780, 16 bytes long.
 Data: <&#232;O&#178;&#181;X           > E8 4F B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000158B5B1BBA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x00000158B5B243C0, 16 bytes long.
 Data: <&#192;O&#178;&#181;X           > C0 4F B2 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000158B5B24FC0, 992 bytes long.
 Data: <&#192;C&#178;&#181;X   &#160;&#187;&#177;&#181;X   > C0 43 B2 B5 58 01 00 00 A0 BB B1 B5 58 01 00 00 
{102} normal block at 0x00000158B5B1BA20, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x00000158B5B1E420, 16 bytes long.
 Data: <P&#242;&#177;&#181;X           > 50 F2 B1 B5 58 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x00000158B5B1F250, 40 bytes long.
 Data: < &#228;&#177;&#181;X    &#186;&#177;&#181;X   > 20 E4 B1 B5 58 01 00 00 20 BA B1 B5 58 01 00 00 
{79} normal block at 0x00000158B5B1E0B0, 16 bytes long.
 Data: < &#234;W&#167;&#247;           > 80 EA 57 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x00000158B5B1E4C0, 16 bytes long.
 Data: <@&#233;W&#167;&#247;           > 40 E9 57 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x00000158B5B1E380, 16 bytes long.
 Data: <&#248;WT&#167;&#247;           > F8 57 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x00000158B5B1E790, 16 bytes long.
 Data: <&#216;WT&#167;&#247;           > D8 57 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x00000158B5B1E060, 16 bytes long.
 Data: <P T&#167;&#247;           > 50 04 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x00000158B5B1E3D0, 16 bytes long.
 Data: <0 T&#167;&#247;           > 30 04 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000158B5B1E9C0, 16 bytes long.
 Data: <&#224; T&#167;&#247;           > E0 02 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000158B5B1E8D0, 16 bytes long.
 Data: <  T&#167;&#247;           > 10 04 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000158B5B1E740, 16 bytes long.
 Data: <p T&#167;&#247;           > 70 04 54 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000158B5B1E330, 16 bytes long.
 Data: < &#192;R&#167;&#247;           > 18 C0 52 A7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra