Task 38678093

Name test_869-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND4179_1
Workunit 31619898
Created 26 Oct 2026, 16:20:50 UTC
Sent 26 Oct 2026, 16:20:53 UTC
Report deadline 31 Oct 2026, 16:20:53 UTC
Received 26 Oct 2026, 16:46:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 593262
Run time 25 min 11 sec
CPU time 22 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 51,075.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.07 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:22:09 (20828): wrapper (7.9.26016): starting
17:22:09 (20828): 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
17:22:10 (20828): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:22:10 (20828): 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\14\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\14\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
17:46:11 (20828): C:/Windows/system32/cmd.exe exited; CPU time 1341.781250
17:46:11 (20828): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 28699242 bytes.
Dumping objects ->
{3835282} normal block at 0x000001FC046E0990, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x000001FC046E0AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x000001FC046E0D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x000001FC046E15D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x000001FC046E0920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x000001FC04846F90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x000001FC0485F710, 85 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) : {3835193} normal block at 0x000001FC02BFF720, 8 bytes long.
 Data: <  &#247; &#252;   > 00 00 F7 02 FC 01 00 00 
{3834572} normal block at 0x000001FC0485F850, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000001FC02BFF680, 8 bytes long.
 Data: <&#160;&#230;&#190; &#252;   > A0 E6 BE 02 FC 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001FC02C00B30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001FC02BF7D50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000001FC02C07810, 16 bytes long.
 Data: <h&#132;&#192; &#252;           > 68 84 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001FC02C07680, 16 bytes long.
 Data: <@&#132;&#192; &#252;           > 40 84 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FC02C02940, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000001FC02C07630, 16 bytes long.
 Data: < &#132;&#192; &#252;           > 18 84 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FC02C075E0, 16 bytes long.
 Data: <&#240;&#131;&#192; &#252;           > F0 83 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FC02C07220, 16 bytes long.
 Data: <&#200;&#131;&#192; &#252;           > C8 83 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FC02C074F0, 16 bytes long.
 Data: <&#160;&#131;&#192; &#252;           > A0 83 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FC02BFF9A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000001FC02C08030, 16 bytes long.
 Data: <&#184; &#191; &#252;           > B8 0D BF 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FC02C02880, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000001FC02C080D0, 16 bytes long.
 Data: <  &#191; &#252;           > 90 0D BF 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FC02C07590, 16 bytes long.
 Data: <h &#191; &#252;           > 68 0D BF 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FC02C07540, 16 bytes long.
 Data: <@ &#191; &#252;           > 40 0D BF 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FC02C079A0, 16 bytes long.
 Data: <  &#191; &#252;           > 18 0D BF 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FC02C07B80, 16 bytes long.
 Data: <&#240; &#191; &#252;           > F0 0C BF 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FC02C07180, 16 bytes long.
 Data: <&#200; &#191; &#252;           > C8 0C BF 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FC02C02B20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000001FC02C07D10, 16 bytes long.
 Data: <&#160; &#191; &#252;           > A0 0C BF 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FC02BF0CA0, 320 bytes long.
 Data: < }&#192; &#252;    +&#192; &#252;   > 10 7D C0 02 FC 01 00 00 20 2B C0 02 FC 01 00 00 
{281} normal block at 0x000001FC02C074A0, 16 bytes long.
 Data: < &#131;&#192; &#252;           > 80 83 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FC02C07C70, 16 bytes long.
 Data: <X&#131;&#192; &#252;           > 58 83 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FC02C02280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000001FC02C07860, 16 bytes long.
 Data: <0&#131;&#192; &#252;           > 30 83 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FC02C02820, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000001FC02C07450, 16 bytes long.
 Data: <x&#130;&#192; &#252;           > 78 82 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FC02C07B30, 16 bytes long.
 Data: <P&#130;&#192; &#252;           > 50 82 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FC02C07C20, 16 bytes long.
 Data: <(&#130;&#192; &#252;           > 28 82 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FC02C07EF0, 16 bytes long.
 Data: < &#130;&#192; &#252;           > 00 82 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FC02C07950, 16 bytes long.
 Data: <&#216; &#192; &#252;           > D8 81 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FC02C07360, 16 bytes long.
 Data: <&#176; &#192; &#252;           > B0 81 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FC02C073B0, 16 bytes long.
 Data: < &#250;&#191; &#252;           > 10 FA BF 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FC02BFFA10, 40 bytes long.
 Data: <&#176;s&#192; &#252;    o&#132; &#252;   > B0 73 C0 02 FC 01 00 00 90 6F 84 04 FC 01 00 00 
{267} normal block at 0x000001FC02C07BD0, 16 bytes long.
 Data: <  &#192; &#252;           > 90 81 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FC02C07310, 16 bytes long.
 Data: <h &#192; &#252;           > 68 81 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FC02C01F20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000001FC02C07400, 16 bytes long.
 Data: <@ &#192; &#252;           > 40 81 C0 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FC02C08140, 992 bytes long.
 Data: < t&#192; &#252;     &#192; &#252;   > 00 74 C0 02 FC 01 00 00 20 1F C0 02 FC 01 00 00 
{99} normal block at 0x000001FC02C025E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000001FC02BFEE60, 16 bytes long.
 Data: < &#250;&#191; &#252;           > 80 FA BF 02 FC 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001FC02BFFA80, 40 bytes long.
 Data: <`&#238;&#191; &#252;   &#224;%&#192; &#252;   > 60 EE BF 02 FC 01 00 00 E0 25 C0 02 FC 01 00 00 
{76} normal block at 0x000001FC02BFEFF0, 16 bytes long.
 Data: < &#234;<&#206;&#247;           > 80 EA 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000001FC02BFF1D0, 16 bytes long.
 Data: <@&#233;<&#206;&#247;           > 40 E9 3C CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000001FC02BFE7D0, 16 bytes long.
 Data: <&#248;W9&#206;&#247;           > F8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001FC02BFF590, 16 bytes long.
 Data: <&#216;W9&#206;&#247;           > D8 57 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FC02BFF3B0, 16 bytes long.
 Data: <P 9&#206;&#247;           > 50 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FC02BFEAA0, 16 bytes long.
 Data: <0 9&#206;&#247;           > 30 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FC02BFF270, 16 bytes long.
 Data: <&#224; 9&#206;&#247;           > E0 02 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FC02BFECD0, 16 bytes long.
 Data: <  9&#206;&#247;           > 10 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FC02BFEEB0, 16 bytes long.
 Data: <p 9&#206;&#247;           > 70 04 39 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FC02BFF0E0, 16 bytes long.
 Data: < &#192;7&#206;&#247;           > 18 C0 37 CE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra