Task 38691434

Name test_942-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND2842_1
Workunit 31603480
Created 29 Oct 2026, 13:43:32 UTC
Sent 29 Oct 2026, 13:43:38 UTC
Report deadline 3 Nov 2026, 13:43:38 UTC
Received 29 Oct 2026, 14:54:54 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630874
Run time 54 min 19 sec
CPU time 51 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 14,564.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.60 MB
Peak swap size 8.40 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:01:14 (20556): wrapper (7.9.26016): starting
23:01:14 (20556): 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
23:01:15 (20556): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:01:15 (20556): 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\3\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\3\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
23:54:09 (20556): C:/Windows/system32/cmd.exe exited; CPU time 3079.000000
23:54:09 (20556): 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: 52250469 bytes.
Dumping objects ->
{3835992} normal block at 0x00000211BD3AC680, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835981} normal block at 0x00000211BB275480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835970} normal block at 0x00000211BB2753A0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835959} normal block at 0x00000211BB274E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835948} normal block at 0x00000211BB275330, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835917} normal block at 0x00000211BD3FC330, 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) : {3835904} normal block at 0x00000211BB26DAC0, 8 bytes long.
 Data: <  $&#187;    > 00 00 24 BB 11 02 00 00 
{3834065} normal block at 0x00000211BB26DD90, 8 bytes long.
 Data: < $3&#189;    > E0 24 33 BD 11 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x00000211BB271400, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x00000211BB266FD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x00000211BB276730, 16 bytes long.
 Data: <&#200;o'&#187;            > C8 6F 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000211BB2760F0, 16 bytes long.
 Data: < o'&#187;            > A0 6F 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000211BB26FF70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x00000211BB275D30, 16 bytes long.
 Data: <xo'&#187;            > 78 6F 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000211BB2768C0, 16 bytes long.
 Data: <Po'&#187;            > 50 6F 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000211BB2760A0, 16 bytes long.
 Data: <(o'&#187;            > 28 6F 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000211BB276460, 16 bytes long.
 Data: < o'&#187;            > 00 6F 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000211BB275090, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x00000211BB2761E0, 16 bytes long.
 Data: < L'&#187;            > 88 4C 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000211BB270030, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x00000211BB276690, 16 bytes long.
 Data: <`L'&#187;            > 60 4C 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000211BB276050, 16 bytes long.
 Data: <8L'&#187;            > 38 4C 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000211BB276000, 16 bytes long.
 Data: < L'&#187;            > 10 4C 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000211BB276AA0, 16 bytes long.
 Data: < K'&#187;            > E8 4B 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000211BB2765F0, 16 bytes long.
 Data: <&#192;K'&#187;            > C0 4B 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000211BB275F10, 16 bytes long.
 Data: < K'&#187;            > 98 4B 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000211BB26FB50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x00000211BB276410, 16 bytes long.
 Data: <pK'&#187;            > 70 4B 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000211BB274B70, 320 bytes long.
 Data: < d'&#187;    P &&#187;    > 10 64 27 BB 11 02 00 00 50 FB 26 BB 11 02 00 00 
{278} normal block at 0x00000211BB2769B0, 16 bytes long.
 Data: < n'&#187;            > E0 6E 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000211BB276140, 16 bytes long.
 Data: <&#184;n'&#187;            > B8 6E 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000211BB26F130, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x00000211BB276A50, 16 bytes long.
 Data: < n'&#187;            > 90 6E 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000211BB26F730, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x00000211BB275F60, 16 bytes long.
 Data: <&#216;m'&#187;            > D8 6D 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000211BB276910, 16 bytes long.
 Data: <&#176;m'&#187;            > B0 6D 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000211BB276640, 16 bytes long.
 Data: < m'&#187;            > 88 6D 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000211BB276A00, 16 bytes long.
 Data: <`m'&#187;            > 60 6D 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000211BB276B90, 16 bytes long.
 Data: <8m'&#187;            > 38 6D 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000211BB2763C0, 16 bytes long.
 Data: < m'&#187;            > 10 6D 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000211BB2766E0, 16 bytes long.
 Data: <&#208;N'&#187;            > D0 4E 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000211BB274ED0, 40 bytes long.
 Data: < f'&#187;    0&#195;?&#189;    > E0 66 27 BB 11 02 00 00 30 C3 3F BD 11 02 00 00 
{264} normal block at 0x00000211BB276B40, 16 bytes long.
 Data: < l'&#187;            > F0 6C 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000211BB275CE0, 16 bytes long.
 Data: <&#200;l'&#187;            > C8 6C 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000211BB26FC70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x00000211BB275EC0, 16 bytes long.
 Data: < l'&#187;            > A0 6C 27 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000211BB276CA0, 992 bytes long.
 Data: <&#192;^'&#187;    p &&#187;    > C0 5E 27 BB 11 02 00 00 70 FC 26 BB 11 02 00 00 
{96} normal block at 0x00000211BB26FA90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x00000211BB26DCA0, 16 bytes long.
 Data: <`&#202;%&#187;            > 60 CA 25 BB 11 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x00000211BB25CA60, 40 bytes long.
 Data: < &#220;&&#187;      &&#187;    > A0 DC 26 BB 11 02 00 00 90 FA 26 BB 11 02 00 00 
{71} normal block at 0x00000211BB26D750, 16 bytes long.
 Data: <  Y&#212;            > 80 EA 59 D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000211BB26E100, 16 bytes long.
 Data: <@ Y&#212;            > 40 E9 59 D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000211BB26DD40, 16 bytes long.
 Data: < WV&#212;            > F8 57 56 D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000211BB26D700, 16 bytes long.
 Data: <&#216;WV&#212;            > D8 57 56 D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000211BB26D7A0, 16 bytes long.
 Data: <P V&#212;            > 50 04 56 D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000211BB26D840, 16 bytes long.
 Data: <0 V&#212;            > 30 04 56 D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000211BB26D6B0, 16 bytes long.
 Data: <  V&#212;            > E0 02 56 D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000211BB26DBB0, 16 bytes long.
 Data: <  V&#212;            > 10 04 56 D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000211BB26D930, 16 bytes long.
 Data: <p V&#212;            > 70 04 56 D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000211BB26E510, 16 bytes long.
 Data: < &#192;T&#212;            > 18 C0 54 D4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra