Task 38683507

Name test_582-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND2462_1
Workunit 31624988
Created 27 Oct 2026, 12:04:51 UTC
Sent 27 Oct 2026, 12:04:57 UTC
Report deadline 1 Nov 2026, 12:04:57 UTC
Received 27 Oct 2026, 12:25:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648841
Run time 17 min 4 sec
CPU time 15 min 53 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 58,709.55 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 778.59 MB
Peak swap size 13.06 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:08:21 (30140): wrapper (7.9.26016): starting
13:08:21 (30140): 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
13:08:22 (30140): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:08:22 (30140): 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\23\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\23\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
13:24:47 (30140): C:/Windows/system32/cmd.exe exited; CPU time 953.375000
13:24:47 (30140): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 24315853 bytes.
Dumping objects ->
{3835552} normal block at 0x000001573833D3F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835541} normal block at 0x000001573833CAC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835530} normal block at 0x0000015736774C00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835519} normal block at 0x0000015736774FF0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835508} normal block at 0x0000015736774D50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835477} normal block at 0x000001573838B420, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835466} normal block at 0x000001573839EB30, 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) : {3835463} normal block at 0x000001573676F920, 8 bytes long.
 Data: <  p6W   > 00 00 70 36 57 01 00 00 
{3834688} normal block at 0x000001573839F210, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000001573676F330, 8 bytes long.
 Data: <&#208;?>8W   > D0 3F 3E 38 57 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000015736770F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000015736766710, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000015736775F70, 16 bytes long.
 Data: <Xhw6W           > 58 68 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000015736775660, 16 bytes long.
 Data: <0hw6W           > 30 68 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000015736770930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000015736775E30, 16 bytes long.
 Data: < hw6W           > 08 68 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000015736776100, 16 bytes long.
 Data: <&#224;gw6W           > E0 67 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000015736775A70, 16 bytes long.
 Data: <&#184;gw6W           > B8 67 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000157367763D0, 16 bytes long.
 Data: < gw6W           > 90 67 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000015736774DC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000015736775B60, 16 bytes long.
 Data: < &#183;u6W           > 08 B7 75 36 57 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001573676FDF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000015736775C50, 16 bytes long.
 Data: <&#224;&#182;u6W           > E0 B6 75 36 57 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000015736775C00, 16 bytes long.
 Data: <&#184;&#182;u6W           > B8 B6 75 36 57 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000015736775610, 16 bytes long.
 Data: < &#182;u6W           > 90 B6 75 36 57 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000157367759D0, 16 bytes long.
 Data: <h&#182;u6W           > 68 B6 75 36 57 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000015736775F20, 16 bytes long.
 Data: <@&#182;u6W           > 40 B6 75 36 57 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000015736775750, 16 bytes long.
 Data: < &#182;u6W           > 18 B6 75 36 57 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000015736770870, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000015736775B10, 16 bytes long.
 Data: <&#240;&#181;u6W           > F0 B5 75 36 57 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001573675B5F0, 320 bytes long.
 Data: < [w6W   p w6W   > 10 5B 77 36 57 01 00 00 70 08 77 36 57 01 00 00 
{277} normal block at 0x0000015736775E80, 16 bytes long.
 Data: <pgw6W           > 70 67 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000015736775980, 16 bytes long.
 Data: <Hgw6W           > 48 67 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001573676FE50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000015736775570, 16 bytes long.
 Data: < gw6W           > 20 67 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000015736770510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000015736775ED0, 16 bytes long.
 Data: <hfw6W           > 68 66 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000157367764C0, 16 bytes long.
 Data: <@fw6W           > 40 66 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000015736775DE0, 16 bytes long.
 Data: < fw6W           > 18 66 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000015736776470, 16 bytes long.
 Data: <&#240;ew6W           > F0 65 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000157367762E0, 16 bytes long.
 Data: <&#200;ew6W           > C8 65 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000015736776290, 16 bytes long.
 Data: <&#160;ew6W           > A0 65 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000015736775D90, 16 bytes long.
 Data: <@Jw6W           > 40 4A 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000015736774A40, 40 bytes long.
 Data: < ]w6W    &#180;88W   > 90 5D 77 36 57 01 00 00 20 B4 38 38 57 01 00 00 
{263} normal block at 0x00000157367755C0, 16 bytes long.
 Data: < ew6W           > 80 65 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000157367760B0, 16 bytes long.
 Data: <Xew6W           > 58 65 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001573676FD90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000015736776420, 16 bytes long.
 Data: <0ew6W           > 30 65 77 36 57 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000015736776530, 992 bytes long.
 Data: < dw6W    &#253;v6W   > 20 64 77 36 57 01 00 00 90 FD 76 36 57 01 00 00 
{95} normal block at 0x0000015736770810, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001573676EE30, 16 bytes long.
 Data: < &#229;u6W           > 90 E5 75 36 57 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001573675E590, 40 bytes long.
 Data: <0&#238;v6W     w6W   > 30 EE 76 36 57 01 00 00 10 08 77 36 57 01 00 00 
{72} normal block at 0x000001573676F010, 16 bytes long.
 Data: < &#234;&#161;&#241;&#247;           > 80 EA A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001573676F6F0, 16 bytes long.
 Data: <@&#233;&#161;&#241;&#247;           > 40 E9 A1 F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001573676EFC0, 16 bytes long.
 Data: <&#248;W&#158;&#241;&#247;           > F8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001573676F880, 16 bytes long.
 Data: <&#216;W&#158;&#241;&#247;           > D8 57 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001573676F1F0, 16 bytes long.
 Data: <P &#158;&#241;&#247;           > 50 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001573676EBB0, 16 bytes long.
 Data: <0 &#158;&#241;&#247;           > 30 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001573676F1A0, 16 bytes long.
 Data: <&#224; &#158;&#241;&#247;           > E0 02 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001573676F470, 16 bytes long.
 Data: <  &#158;&#241;&#247;           > 10 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001573676F150, 16 bytes long.
 Data: <p &#158;&#241;&#247;           > 70 04 9E F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001573676F420, 16 bytes long.
 Data: < &#192;&#156;&#241;&#247;           > 18 C0 9C F1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra