Task 38681296

Name test_348-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND2759_0
Workunit 31622968
Created 27 Oct 2026, 3:25:34 UTC
Sent 27 Oct 2026, 3:25:40 UTC
Report deadline 1 Nov 2026, 3:25:40 UTC
Received 27 Oct 2026, 5:21:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610949
Run time 28 min 55 sec
CPU time 27 min
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 716.50 MB
Peak swap size 9.92 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:52:57 (42516): wrapper (7.9.26016): starting
13:52:57 (42516): 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
13:52:58 (42516): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:52:58 (42516): 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\1\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\1\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
14:21:07 (42516): C:/Windows/system32/cmd.exe exited; CPU time 1620.625000
14:21:07 (42516): 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: 38657529 bytes.
Dumping objects ->
{3835380} normal block at 0x000001D2118D28A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835369} normal block at 0x000001D2118D3320, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835358} normal block at 0x000001D2118D2BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835347} normal block at 0x000001D2118D2E50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x000001D2118D2EC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835305} normal block at 0x000001D215258160, 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) : {3835292} normal block at 0x000001D2118D0320, 8 bytes long.
 Data: <  &#209; &#210;   > 00 00 D1 11 D2 01 00 00 
{3834077} normal block at 0x000001D2118CFF60, 8 bytes long.
 Data: <P * &#210;   > 50 93 2A 15 D2 01 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001D2118C08C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000001D2118B97B0, 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 0x000001D2118CFCE0, 16 bytes long.
 Data: <    &#210;           > 98 F6 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001D2118CFE70, 16 bytes long.
 Data: <p   &#210;           > 70 F6 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001D2118C8230, 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 0x000001D2118CFD80, 16 bytes long.
 Data: <H   &#210;           > 48 F6 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001D2118D0640, 16 bytes long.
 Data: <    &#210;           > 20 F6 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D2118CC200, 16 bytes long.
 Data: <    &#210;           > F8 F5 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D2118CC1B0, 16 bytes long.
 Data: <&#208;   &#210;           > D0 F5 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001D2118CA440, 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 0x000001D2118CC160, 16 bytes long.
 Data: <&#184;   &#210;           > B8 9E 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D2118C8170, 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 0x000001D2118CBEE0, 16 bytes long.
 Data: <    &#210;           > 90 9E 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001D2118CBE90, 16 bytes long.
 Data: <h   &#210;           > 68 9E 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D2118CBC10, 16 bytes long.
 Data: <@   &#210;           > 40 9E 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D2118CBA30, 16 bytes long.
 Data: <    &#210;           > 18 9E 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001D2118CB9E0, 16 bytes long.
 Data: <    &#210;           > F0 9D 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D2118CBE40, 16 bytes long.
 Data: <&#200;   &#210;           > C8 9D 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D2118C7ED0, 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 0x000001D2118CC480, 16 bytes long.
 Data: <    &#210;           > A0 9D 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D2118C9DA0, 320 bytes long.
 Data: < &#196;  &#210;   &#208;~  &#210;   > 80 C4 8C 11 D2 01 00 00 D0 7E 8C 11 D2 01 00 00 
{281} normal block at 0x000001D2118CBA80, 16 bytes long.
 Data: <&#176;   &#210;           > B0 F5 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D2118CBBC0, 16 bytes long.
 Data: <    &#210;           > 88 F5 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001D2118C8710, 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 0x000001D2118CB8A0, 16 bytes long.
 Data: <`   &#210;           > 60 F5 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D2118C81D0, 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 0x000001D2118CC7F0, 16 bytes long.
 Data: <&#168;   &#210;           > A8 F4 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D2118CC750, 16 bytes long.
 Data: <    &#210;           > 80 F4 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D2118CC700, 16 bytes long.
 Data: <X   &#210;           > 58 F4 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D2118CC660, 16 bytes long.
 Data: <0   &#210;           > 30 F4 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D2118CC6B0, 16 bytes long.
 Data: <    &#210;           > 08 F4 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D2118CC610, 16 bytes long.
 Data: <    &#210;           > E0 F3 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D2118CC570, 16 bytes long.
 Data: <P   &#210;           > 50 A0 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D2118CA050, 40 bytes long.
 Data: <p&#197;  &#210;   ` % &#210;   > 70 C5 8C 11 D2 01 00 00 60 81 25 15 D2 01 00 00 
{267} normal block at 0x000001D2118CC390, 16 bytes long.
 Data: <&#192;   &#210;           > C0 F3 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001D2118CC2A0, 16 bytes long.
 Data: <    &#210;           > 98 F3 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D2118C8650, 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 0x000001D2118CC250, 16 bytes long.
 Data: <p   &#210;           > 70 F3 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D2118CF370, 992 bytes long.
 Data: <P&#194;  &#210;   P   &#210;   > 50 C2 8C 11 D2 01 00 00 50 86 8C 11 D2 01 00 00 
{99} normal block at 0x000001D2118C8CB0, 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 0x000001D2118CC3E0, 16 bytes long.
 Data: <&#208;&#163;  &#210;           > D0 A3 8C 11 D2 01 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000001D2118CA3D0, 40 bytes long.
 Data: < &#195;  &#210;   &#176;   &#210;   > E0 C3 8C 11 D2 01 00 00 B0 8C 8C 11 D2 01 00 00 
{74} normal block at 0x000001D2118CBAD0, 16 bytes long.
 Data: <   m            > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001D2118CBB20, 16 bytes long.
 Data: <@  m            > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001D2118CBC60, 16 bytes long.
 Data: < W m            > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001D2118CC110, 16 bytes long.
 Data: <&#216;W m            > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001D2118CBD50, 16 bytes long.
 Data: <P  m            > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D2118CBCB0, 16 bytes long.
 Data: <0  m            > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D2118BD170, 16 bytes long.
 Data: <   m            > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D2118BD120, 16 bytes long.
 Data: <   m            > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D2118BDB20, 16 bytes long.
 Data: <p  m            > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D2118BD9E0, 16 bytes long.
 Data: < &#192; m            > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra