Task 38688018

Name test_282-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5585_1
Workunit 31629366
Created 28 Oct 2026, 11:06:52 UTC
Sent 28 Oct 2026, 11:06:56 UTC
Report deadline 2 Nov 2026, 11:06:56 UTC
Received 28 Oct 2026, 20:39:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648117
Run time 20 min 43 sec
CPU time 19 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,121.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.74 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:18:09 (28120): wrapper (7.9.26016): starting
21:18:09 (28120): 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
21:18:10 (28120): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:18:10 (28120): 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 'E:\BOINC\data\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 'E:\BOINC\data\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
21:38:05 (28120): C:/Windows/system32/cmd.exe exited; CPU time 1171.671875
21:38:05 (28120): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 28231455 bytes.
Dumping objects ->
{3835311} normal block at 0x0000024A562AFB30, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835300} normal block at 0x0000024A57EF8050, 32 bytes long.
 Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835289} normal block at 0x0000024A57EF83B0, 32 bytes long.
 Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74 
{3835278} normal block at 0x0000024A57EF73F0, 32 bytes long.
 Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835267} normal block at 0x0000024A57EF8530, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835236} normal block at 0x0000024A562AF0B0, 48 bytes long.
 Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 
{3835225} normal block at 0x0000024A57EC0F10, 102 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) : {3835222} normal block at 0x0000024A56280530, 8 bytes long.
 Data: <  dVJ   > 00 00 64 56 4A 02 00 00 
{3834590} normal block at 0x0000024A57EC0830, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833977} normal block at 0x0000024A562808A0, 8 bytes long.
 Data: <&#208;&#250;&#235;WJ   > D0 FA EB 57 4A 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000024A56277CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000024A56278D60, 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 0x0000024A56287510, 16 bytes long.
 Data: <X&#130;(VJ           > 58 82 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000024A56287B00, 16 bytes long.
 Data: <0&#130;(VJ           > 30 82 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000024A56282300, 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 0x0000024A562878D0, 16 bytes long.
 Data: < &#130;(VJ           > 08 82 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000024A56287420, 16 bytes long.
 Data: <&#224; (VJ           > E0 81 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000024A56287A10, 16 bytes long.
 Data: <&#184; (VJ           > B8 81 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024A56287AB0, 16 bytes long.
 Data: <  (VJ           > 90 81 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024A56285720, 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 0x0000024A56287150, 16 bytes long.
 Data: <&#248; 'VJ           > F8 11 27 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024A56282120, 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 0x0000024A56287100, 16 bytes long.
 Data: <&#208; 'VJ           > D0 11 27 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024A56287330, 16 bytes long.
 Data: <&#168; 'VJ           > A8 11 27 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024A562876A0, 16 bytes long.
 Data: <  'VJ           > 80 11 27 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024A56287010, 16 bytes long.
 Data: <X 'VJ           > 58 11 27 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024A56287880, 16 bytes long.
 Data: <0 'VJ           > 30 11 27 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024A56286FC0, 16 bytes long.
 Data: <  'VJ           > 08 11 27 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024A562826C0, 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 0x0000024A562871F0, 16 bytes long.
 Data: <&#224; 'VJ           > E0 10 27 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024A562710E0, 320 bytes long.
 Data: <&#240;q(VJ   &#192;&(VJ   > F0 71 28 56 4A 02 00 00 C0 26 28 56 4A 02 00 00 
{284} normal block at 0x0000024A56287920, 16 bytes long.
 Data: <p (VJ           > 70 81 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024A56287740, 16 bytes long.
 Data: <H (VJ           > 48 81 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024A56282240, 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 0x0000024A56287240, 16 bytes long.
 Data: <  (VJ           > 20 81 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024A56281E80, 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 0x0000024A56287EC0, 16 bytes long.
 Data: <h (VJ           > 68 80 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024A562879C0, 16 bytes long.
 Data: <@ (VJ           > 40 80 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024A56287A60, 16 bytes long.
 Data: <  (VJ           > 18 80 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024A56287290, 16 bytes long.
 Data: <&#240; (VJ           > F0 7F 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024A56287970, 16 bytes long.
 Data: <&#200; (VJ           > C8 7F 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024A56286F70, 16 bytes long.
 Data: <&#160; (VJ           > A0 7F 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024A56287560, 16 bytes long.
 Data: < ^(VJ           > 20 5E 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024A56285E20, 40 bytes long.
 Data: <`u(VJ   &#176;&#240;*VJ   > 60 75 28 56 4A 02 00 00 B0 F0 2A 56 4A 02 00 00 
{270} normal block at 0x0000024A56287C90, 16 bytes long.
 Data: <  (VJ           > 80 7F 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024A56287E20, 16 bytes long.
 Data: <X (VJ           > 58 7F 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024A56281E20, 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 0x0000024A56287D80, 16 bytes long.
 Data: <0 (VJ           > 30 7F 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024A56287F30, 992 bytes long.
 Data: < }(VJ     (VJ   > 80 7D 28 56 4A 02 00 00 20 1E 28 56 4A 02 00 00 
{102} normal block at 0x0000024A56281AC0, 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 0x0000024A56280800, 16 bytes long.
 Data: < X(VJ           > 00 58 28 56 4A 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000024A56285800, 40 bytes long.
 Data: <  (VJ   &#192; (VJ   > 00 08 28 56 4A 02 00 00 C0 1A 28 56 4A 02 00 00 
{79} normal block at 0x0000024A56280760, 16 bytes long.
 Data: < &#234;>}&#246;           > 80 EA 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000024A56280030, 16 bytes long.
 Data: <@&#233;>}&#246;           > 40 E9 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000024A562804E0, 16 bytes long.
 Data: <&#248;W;}&#246;           > F8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000024A5627FB80, 16 bytes long.
 Data: <&#216;W;}&#246;           > D8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000024A562807B0, 16 bytes long.
 Data: <P ;}&#246;           > 50 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000024A5627FB30, 16 bytes long.
 Data: <0 ;}&#246;           > 30 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000024A56280490, 16 bytes long.
 Data: <&#224; ;}&#246;           > E0 02 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000024A56280670, 16 bytes long.
 Data: <  ;}&#246;           > 10 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024A5627FF40, 16 bytes long.
 Data: <p ;}&#246;           > 70 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024A5627FA90, 16 bytes long.
 Data: < &#192;9}&#246;           > 18 C0 39 7D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra