Task 38676425

Name test_485-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4607_0
Workunit 31618341
Created 26 Oct 2026, 11:17:30 UTC
Sent 26 Oct 2026, 11:17:32 UTC
Report deadline 31 Oct 2026, 11:17:32 UTC
Received 26 Oct 2026, 13:00:44 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654845
Run time 26 min 4 sec
CPU time 19 min 59 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 725.36 MB
Peak swap size 1.67 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:34:23 (11896): wrapper (7.9.26016): starting
14:34:23 (11896): 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
14:34:24 (11896): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:34:24 (11896): 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 'D:\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 'D:\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
14:58:34 (11896): C:/Windows/system32/cmd.exe exited; CPU time 1199.953125
14:58:34 (11896): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 17793609 bytes.
Dumping objects ->
{3835468} normal block at 0x000001D94B39CF70, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001D94B39CBF0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x000001D94B39D050, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835435} normal block at 0x000001D94994AD90, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835424} normal block at 0x000001D94994AD20, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835393} normal block at 0x000001D94B3E3610, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x000001D949A1D4E0, 160 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) : {3835379} normal block at 0x000001D949945F90, 8 bytes long.
 Data: <  &#142;I&#217;   > 00 00 8E 49 D9 01 00 00 
{3834658} normal block at 0x000001D949A1D160, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001D949946670, 8 bytes long.
 Data: <  DK&#217;   > 10 07 44 4B D9 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001D94994F9E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D949935B30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001D949950DE0, 16 bytes long.
 Data: <&#232;.&#149;I&#217;           > E8 2E 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D949951100, 16 bytes long.
 Data: <&#192;.&#149;I&#217;           > C0 2E 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001D94994BE30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001D949950B60, 16 bytes long.
 Data: < .&#149;I&#217;           > 98 2E 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D949950A20, 16 bytes long.
 Data: <p.&#149;I&#217;           > 70 2E 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D949950ED0, 16 bytes long.
 Data: <H.&#149;I&#217;           > 48 2E 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D9499516A0, 16 bytes long.
 Data: < .&#149;I&#217;           > 20 2E 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D94994AE70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001D9499510B0, 16 bytes long.
 Data: <&#200;Z&#147;I&#217;           > C8 5A 93 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D94994C730, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001D949951470, 16 bytes long.
 Data: <&#160;Z&#147;I&#217;           > A0 5A 93 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001D9499515B0, 16 bytes long.
 Data: <xZ&#147;I&#217;           > 78 5A 93 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D9499516F0, 16 bytes long.
 Data: <PZ&#147;I&#217;           > 50 5A 93 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D949951330, 16 bytes long.
 Data: <(Z&#147;I&#217;           > 28 5A 93 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001D949950890, 16 bytes long.
 Data: < Z&#147;I&#217;           > 00 5A 93 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D949951600, 16 bytes long.
 Data: <&#216;Y&#147;I&#217;           > D8 59 93 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001D94994C9D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001D949951560, 16 bytes long.
 Data: <&#176;Y&#147;I&#217;           > B0 59 93 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D9499359B0, 320 bytes long.
 Data: <` &#149;I&#217;   &#208;&#201;&#148;I&#217;   > 60 15 95 49 D9 01 00 00 D0 C9 94 49 D9 01 00 00 
{269} normal block at 0x000001D949951010, 16 bytes long.
 Data: < .&#149;I&#217;           > 00 2E 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D949950D90, 16 bytes long.
 Data: <&#216;-&#149;I&#217;           > D8 2D 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D94994C070, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001D9499511F0, 16 bytes long.
 Data: <&#176;-&#149;I&#217;           > B0 2D 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D94994C550, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001D949951650, 16 bytes long.
 Data: <&#248;,&#149;I&#217;           > F8 2C 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001D9499513D0, 16 bytes long.
 Data: <&#208;,&#149;I&#217;           > D0 2C 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D949950CA0, 16 bytes long.
 Data: <&#168;,&#149;I&#217;           > A8 2C 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D949951380, 16 bytes long.
 Data: < ,&#149;I&#217;           > 80 2C 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001D9499514C0, 16 bytes long.
 Data: <X,&#149;I&#217;           > 58 2C 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D949950A70, 16 bytes long.
 Data: <0,&#149;I&#217;           > 30 2C 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001D949950FC0, 16 bytes long.
 Data: <P&#175;&#148;I&#217;           > 50 AF 94 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001D94994AF50, 40 bytes long.
 Data: <&#192; &#149;I&#217;    6>K&#217;   > C0 0F 95 49 D9 01 00 00 10 36 3E 4B D9 01 00 00 
{255} normal block at 0x000001D949950C00, 16 bytes long.
 Data: < ,&#149;I&#217;           > 10 2C 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001D9499512E0, 16 bytes long.
 Data: <&#232;+&#149;I&#217;           > E8 2B 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001D94994C970, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001D949950930, 16 bytes long.
 Data: <&#192;+&#149;I&#217;           > C0 2B 95 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001D949952BC0, 992 bytes long.
 Data: <0	&#149;I&#217;   p&#201;&#148;I&#217;   > 30 09 95 49 D9 01 00 00 70 C9 94 49 D9 01 00 00 
{87} normal block at 0x000001D94994C910, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001D9499461C0, 16 bytes long.
 Data: <&#160;&#176;&#148;I&#217;           > A0 B0 94 49 D9 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001D94994B0A0, 40 bytes long.
 Data: <&#192;a&#148;I&#217;    &#201;&#148;I&#217;   > C0 61 94 49 D9 01 00 00 10 C9 94 49 D9 01 00 00 
{64} normal block at 0x000001D949945F40, 16 bytes long.
 Data: < &#234;3&#174;&#247;           > 80 EA 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D949946760, 16 bytes long.
 Data: <@&#233;3&#174;&#247;           > 40 E9 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D9499465D0, 16 bytes long.
 Data: <&#248;W0&#174;&#247;           > F8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D949946530, 16 bytes long.
 Data: <&#216;W0&#174;&#247;           > D8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001D9499468F0, 16 bytes long.
 Data: <P 0&#174;&#247;           > 50 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001D949946C60, 16 bytes long.
 Data: <0 0&#174;&#247;           > 30 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001D949945EF0, 16 bytes long.
 Data: <&#224; 0&#174;&#247;           > E0 02 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001D9499460D0, 16 bytes long.
 Data: <  0&#174;&#247;           > 10 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001D949945DB0, 16 bytes long.
 Data: <p 0&#174;&#247;           > 70 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001D9499467B0, 16 bytes long.
 Data: < &#192;.&#174;&#247;           > 18 C0 2E AE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra