Task 38664023

Name test_279-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND1569_0
Workunit 31607199
Created 24 Oct 2026, 23:05:32 UTC
Sent 24 Oct 2026, 23:05:42 UTC
Report deadline 29 Oct 2026, 23:05:42 UTC
Received 24 Oct 2026, 23:34:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 631132
Run time 27 min 5 sec
CPU time 24 min 58 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,068.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.84 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
08:06:50 (21808): wrapper (7.9.26016): starting
08:06:50 (21808): 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
08:06:51 (21808): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:06:51 (21808): 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\16\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\16\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
08:33:08 (21808): C:/Windows/system32/cmd.exe exited; CPU time 1498.125000
08:33:08 (21808): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 27527395 bytes.
Dumping objects ->
{3835523} normal block at 0x000002BB6858CC00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835512} normal block at 0x000002BB6858C260, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835501} normal block at 0x000002BB6858C3B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835490} normal block at 0x000002BB6858C960, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x000002BB66644430, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835448} normal block at 0x000002BB685D7480, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x000002BB66669040, 180 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) : {3835434} normal block at 0x000002BB6663E8C0, 8 bytes long.
 Data: <  af&#187;   > 00 00 61 66 BB 02 00 00 
{3834732} normal block at 0x000002BB66669220, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834057} normal block at 0x000002BB6663E7D0, 8 bytes long.
 Data: <&#176;9fh&#187;   > B0 39 66 68 BB 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002BB66640E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002BB6662F3A0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002BB66645B70, 16 bytes long.
 Data: < edf&#187;           > 98 65 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002BB66645530, 16 bytes long.
 Data: <pedf&#187;           > 70 65 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002BB6663F890, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002BB66645FD0, 16 bytes long.
 Data: <Hedf&#187;           > 48 65 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002BB66645670, 16 bytes long.
 Data: < edf&#187;           > 20 65 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002BB66645D00, 16 bytes long.
 Data: < ddf&#187;           > F8 64 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002BB66645760, 16 bytes long.
 Data: <&#208;ddf&#187;           > D0 64 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BB666446D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002BB66645CB0, 16 bytes long.
 Data: <x&#181;bf&#187;           > 78 B5 62 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002BB6663F6B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002BB666452B0, 16 bytes long.
 Data: <P&#181;bf&#187;           > 50 B5 62 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BB666453A0, 16 bytes long.
 Data: <(&#181;bf&#187;           > 28 B5 62 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002BB66645800, 16 bytes long.
 Data: < &#181;bf&#187;           > 00 B5 62 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002BB66645620, 16 bytes long.
 Data: <&#216;&#180;bf&#187;           > D8 B4 62 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BB66645A80, 16 bytes long.
 Data: <&#176;&#180;bf&#187;           > B0 B4 62 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002BB66645300, 16 bytes long.
 Data: < &#180;bf&#187;           > 88 B4 62 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002BB6663FAD0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002BB66645580, 16 bytes long.
 Data: <`&#180;bf&#187;           > 60 B4 62 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BB6662B460, 320 bytes long.
 Data: < Udf&#187;   &#208; cf&#187;   > 80 55 64 66 BB 02 00 00 D0 FA 63 66 BB 02 00 00 
{276} normal block at 0x000002BB66646200, 16 bytes long.
 Data: <&#176;ddf&#187;           > B0 64 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BB666454E0, 16 bytes long.
 Data: < ddf&#187;           > 88 64 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BB66640250, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002BB66645F80, 16 bytes long.
 Data: <`ddf&#187;           > 60 64 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002BB6663FCB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002BB66645B20, 16 bytes long.
 Data: <&#168;cdf&#187;           > A8 63 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002BB66645AD0, 16 bytes long.
 Data: < cdf&#187;           > 80 63 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BB66645490, 16 bytes long.
 Data: <Xcdf&#187;           > 58 63 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BB666453F0, 16 bytes long.
 Data: <0cdf&#187;           > 30 63 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002BB66645940, 16 bytes long.
 Data: < cdf&#187;           > 08 63 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BB66645C10, 16 bytes long.
 Data: < bdf&#187;           > E0 62 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BB66645C60, 16 bytes long.
 Data: <`Fdf&#187;           > 60 46 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BB66644660, 40 bytes long.
 Data: <`\df&#187;    t]h&#187;   > 60 5C 64 66 BB 02 00 00 80 74 5D 68 BB 02 00 00 
{262} normal block at 0x000002BB666456C0, 16 bytes long.
 Data: <&#192;bdf&#187;           > C0 62 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BB66645710, 16 bytes long.
 Data: < bdf&#187;           > 98 62 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002BB6663FE90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002BB66645440, 16 bytes long.
 Data: <pbdf&#187;           > 70 62 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BB66646270, 992 bytes long.
 Data: <@Tdf&#187;     cf&#187;   > 40 54 64 66 BB 02 00 00 90 FE 63 66 BB 02 00 00 
{94} normal block at 0x000002BB6663F650, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002BB6663EF50, 16 bytes long.
 Data: <@Gdf&#187;           > 40 47 64 66 BB 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002BB66644740, 40 bytes long.
 Data: <P cf&#187;   P cf&#187;   > 50 EF 63 66 BB 02 00 00 50 F6 63 66 BB 02 00 00 
{69} normal block at 0x000002BB6663EC30, 16 bytes long.
 Data: <   &#166;            > 80 EA F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002BB6663E820, 16 bytes long.
 Data: <@  &#166;            > 40 E9 F1 A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002BB6663EAF0, 16 bytes long.
 Data: < W &#166;            > F8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002BB6663E9B0, 16 bytes long.
 Data: <&#216;W &#166;            > D8 57 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002BB6663E6E0, 16 bytes long.
 Data: <P  &#166;            > 50 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BB6663F310, 16 bytes long.
 Data: <0  &#166;            > 30 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BB6663E870, 16 bytes long.
 Data: <   &#166;            > E0 02 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BB6663E690, 16 bytes long.
 Data: <   &#166;            > 10 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BB6663EDC0, 16 bytes long.
 Data: <p  &#166;            > 70 04 EE A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BB6663F180, 16 bytes long.
 Data: < &#192; &#166;            > 18 C0 EC A6 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra