Task 38680317

Name test_856-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND1298_0
Workunit 31622043
Created 26 Oct 2026, 23:32:46 UTC
Sent 26 Oct 2026, 23:32:52 UTC
Report deadline 31 Oct 2026, 23:32:52 UTC
Received 27 Oct 2026, 0:40:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630161
Run time 21 min 45 sec
CPU time 20 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,749.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.19 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
20:19:09 (13412): wrapper (7.9.26016): starting
20:19:09 (13412): 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
20:19:10 (13412): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:19:10 (13412): 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:\BOINC\slots\10\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:\BOINC\slots\10\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
20:39:57 (13412): C:/Windows/system32/cmd.exe exited; CPU time 1220.937500
20:39:57 (13412): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 18731304 bytes.
Dumping objects ->
{3835203} normal block at 0x00000295B60174D0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835192} normal block at 0x00000295B8BC7A90, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835181} normal block at 0x00000295B8BC7AF0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835170} normal block at 0x00000295B8BC7B50, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835159} normal block at 0x00000295B8BC7D90, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835128} normal block at 0x00000295B6017690, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835117} normal block at 0x00000295B8B8DB20, 85 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) : {3835114} normal block at 0x00000295B5FF4220, 8 bytes long.
 Data: <  +&#182;&#149;   > 00 00 2B B6 95 02 00 00 
{3834520} normal block at 0x00000295B8B8DA80, 85 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 0x00000295B5FF5080, 8 bytes long.
 Data: <&#176;&&#189;&#184;&#149;   > B0 26 BD B8 95 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x00000295B5FF2FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000295B5FF0E10, 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 0x00000295B5FF4A90, 16 bytes long.
 Data: < @&#255;&#181;&#149;           > 88 40 FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000295B5FF49A0, 16 bytes long.
 Data: <`@&#255;&#181;&#149;           > 60 40 FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000295B5FEF350, 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 0x00000295B5FF4D10, 16 bytes long.
 Data: <8@&#255;&#181;&#149;           > 38 40 FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000295B5FF4DB0, 16 bytes long.
 Data: < @&#255;&#181;&#149;           > 10 40 FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000295B5FF4C20, 16 bytes long.
 Data: <&#232;?&#255;&#181;&#149;           > E8 3F FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000295B5FE8C10, 16 bytes long.
 Data: <&#192;?&#255;&#181;&#149;           > C0 3F FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000295B5FEE4D0, 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 0x00000295B5FE9890, 16 bytes long.
 Data: <(&#161;&#253;&#181;&#149;           > 28 A1 FD B5 95 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000295B5FEF050, 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 0x00000295B5FE97F0, 16 bytes long.
 Data: < &#161;&#253;&#181;&#149;           > 00 A1 FD B5 95 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000295B5FE9750, 16 bytes long.
 Data: <&#216;&#160;&#253;&#181;&#149;           > D8 A0 FD B5 95 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000295B5FE9660, 16 bytes long.
 Data: <&#176;&#160;&#253;&#181;&#149;           > B0 A0 FD B5 95 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000295B5FF2A60, 16 bytes long.
 Data: < &#160;&#253;&#181;&#149;           > 88 A0 FD B5 95 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000295B5FF2920, 16 bytes long.
 Data: <`&#160;&#253;&#181;&#149;           > 60 A0 FD B5 95 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000295B5FF26F0, 16 bytes long.
 Data: <8&#160;&#253;&#181;&#149;           > 38 A0 FD B5 95 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000295B5FEEF90, 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 0x00000295B5FF2970, 16 bytes long.
 Data: < &#160;&#253;&#181;&#149;           > 10 A0 FD B5 95 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000295B5FDA010, 320 bytes long.
 Data: <p)&#255;&#181;&#149;    &#239;&#254;&#181;&#149;   > 70 29 FF B5 95 02 00 00 90 EF FE B5 95 02 00 00 
{269} normal block at 0x00000295B5FF26A0, 16 bytes long.
 Data: <&#160;?&#255;&#181;&#149;           > A0 3F FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000295B5FF2C40, 16 bytes long.
 Data: <x?&#255;&#181;&#149;           > 78 3F FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000295B5FEEE10, 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 0x00000295B5FF2880, 16 bytes long.
 Data: <P?&#255;&#181;&#149;           > 50 3F FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000295B5FEF3B0, 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 0x00000295B5FF2BF0, 16 bytes long.
 Data: < >&#255;&#181;&#149;           > 98 3E FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000295B5FF2830, 16 bytes long.
 Data: <p>&#255;&#181;&#149;           > 70 3E FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000295B5FF27E0, 16 bytes long.
 Data: <H>&#255;&#181;&#149;           > 48 3E FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000295B5FF2AB0, 16 bytes long.
 Data: < >&#255;&#181;&#149;           > 20 3E FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000295B5FF2790, 16 bytes long.
 Data: <&#248;=&#255;&#181;&#149;           > F8 3D FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000295B5FE96B0, 16 bytes long.
 Data: <&#208;=&#255;&#181;&#149;           > D0 3D FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000295B5FE9610, 16 bytes long.
 Data: <@&#222;&#254;&#181;&#149;           > 40 DE FE B5 95 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000295B5FEDE40, 40 bytes long.
 Data: < &#150;&#254;&#181;&#149;    v &#182;&#149;   > 10 96 FE B5 95 02 00 00 90 76 01 B6 95 02 00 00 
{255} normal block at 0x00000295B5FE93E0, 16 bytes long.
 Data: <&#176;=&#255;&#181;&#149;           > B0 3D FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000295B5FE95C0, 16 bytes long.
 Data: < =&#255;&#181;&#149;           > 88 3D FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000295B5FEF890, 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 0x00000295B5FE9700, 16 bytes long.
 Data: <`=&#255;&#181;&#149;           > 60 3D FF B5 95 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000295B5FF3D60, 992 bytes long.
 Data: < &#151;&#254;&#181;&#149;    &#248;&#254;&#181;&#149;   > 00 97 FE B5 95 02 00 00 90 F8 FE B5 95 02 00 00 
{87} normal block at 0x00000295B5FEFCB0, 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 0x00000295B5FE8C60, 16 bytes long.
 Data: <&#224;&#224;&#254;&#181;&#149;           > E0 E0 FE B5 95 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x00000295B5FEE0E0, 40 bytes long.
 Data: <`&#140;&#254;&#181;&#149;   &#176;&#252;&#254;&#181;&#149;   > 60 8C FE B5 95 02 00 00 B0 FC FE B5 95 02 00 00 
{64} normal block at 0x00000295B5FE9110, 16 bytes long.
 Data: < &#234;8m&#246;           > 80 EA 38 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000295B5FE94D0, 16 bytes long.
 Data: <@&#233;8m&#246;           > 40 E9 38 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000295B5FE8A30, 16 bytes long.
 Data: <&#248;W5m&#246;           > F8 57 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000295B5FE90C0, 16 bytes long.
 Data: <&#216;W5m&#246;           > D8 57 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000295B5FE9930, 16 bytes long.
 Data: <P 5m&#246;           > 50 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000295B5FE92F0, 16 bytes long.
 Data: <0 5m&#246;           > 30 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000295B5FE8D50, 16 bytes long.
 Data: <&#224; 5m&#246;           > E0 02 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000295B5FE89E0, 16 bytes long.
 Data: <  5m&#246;           > 10 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000295B5FE9840, 16 bytes long.
 Data: <p 5m&#246;           > 70 04 35 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000295B5FE9430, 16 bytes long.
 Data: < &#192;3m&#246;           > 18 C0 33 6D F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra