Task 38664672

Name test_851-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND7593_1
Workunit 31607758
Created 24 Oct 2026, 23:53:14 UTC
Sent 24 Oct 2026, 23:53:22 UTC
Report deadline 29 Oct 2026, 23:53:22 UTC
Received 25 Oct 2026, 0:39:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 630161
Run time 24 min 18 sec
CPU time 22 min 47 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 719.05 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>
20:16:10 (17932): wrapper (7.9.26016): starting
20:16:10 (17932): 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
20:16:12 (17932): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:16:12 (17932): 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\0\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\0\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
20:39:28 (17932): C:/Windows/system32/cmd.exe exited; CPU time 1367.437500
20:39:28 (17932): 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: 20503462 bytes.
Dumping objects ->
{3835203} normal block at 0x000002682A6A77E0, 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 0x000002682D1D7CD0, 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 0x000002682D1D7F70, 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 0x000002682D1D7C70, 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 0x000002682D1D7FD0, 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 0x000002682A6A7F50, 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 0x000002682D19DF80, 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 0x000002682A6844F0, 8 bytes long.
 Data: <  e*h   > 00 00 65 2A 68 02 00 00 
{3834520} normal block at 0x000002682D19D620, 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 0x000002682A684360, 8 bytes long.
 Data: <&#176;& -h   > B0 26 1E 2D 68 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002682A682FA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002682A680E10, 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 0x000002682A684DB0, 16 bytes long.
 Data: < @h*h           > 88 40 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002682A6842C0, 16 bytes long.
 Data: <`@h*h           > 60 40 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002682A67F710, 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 0x000002682A685120, 16 bytes long.
 Data: <8@h*h           > 38 40 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002682A685080, 16 bytes long.
 Data: < @h*h           > 10 40 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002682A684AE0, 16 bytes long.
 Data: <&#232;?h*h           > E8 3F 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002682A678DA0, 16 bytes long.
 Data: <&#192;?h*h           > C0 3F 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002682A67E070, 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 0x000002682A678C60, 16 bytes long.
 Data: <(&#161;f*h           > 28 A1 66 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002682A67FC50, 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 0x000002682A678A80, 16 bytes long.
 Data: < &#161;f*h           > 00 A1 66 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002682A678A30, 16 bytes long.
 Data: <&#216;&#160;f*h           > D8 A0 66 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002682A678C10, 16 bytes long.
 Data: <&#176;&#160;f*h           > B0 A0 66 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002682A682650, 16 bytes long.
 Data: < &#160;f*h           > 88 A0 66 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002682A682A60, 16 bytes long.
 Data: <`&#160;f*h           > 60 A0 66 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002682A682600, 16 bytes long.
 Data: <8&#160;f*h           > 38 A0 66 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002682A67F110, 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 0x000002682A682970, 16 bytes long.
 Data: < &#160;f*h           > 10 A0 66 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002682A66A010, 320 bytes long.
 Data: <p)h*h    &#241;g*h   > 70 29 68 2A 68 02 00 00 10 F1 67 2A 68 02 00 00 
{269} normal block at 0x000002682A682920, 16 bytes long.
 Data: <&#160;?h*h           > A0 3F 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002682A682880, 16 bytes long.
 Data: <x?h*h           > 78 3F 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002682A67F290, 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 0x000002682A6825B0, 16 bytes long.
 Data: <P?h*h           > 50 3F 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002682A67FA10, 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 0x000002682A6828D0, 16 bytes long.
 Data: < >h*h           > 98 3E 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002682A6827E0, 16 bytes long.
 Data: <p>h*h           > 70 3E 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002682A682790, 16 bytes long.
 Data: <H>h*h           > 48 3E 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002682A682C90, 16 bytes long.
 Data: < >h*h           > 20 3E 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002682A682C40, 16 bytes long.
 Data: <&#248;=h*h           > F8 3D 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002682A6797A0, 16 bytes long.
 Data: <&#208;=h*h           > D0 3D 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002682A6796B0, 16 bytes long.
 Data: < &#224;g*h           > 00 E0 67 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002682A67E000, 40 bytes long.
 Data: <&#176;&#150;g*h   P j*h   > B0 96 67 2A 68 02 00 00 50 7F 6A 2A 68 02 00 00 
{255} normal block at 0x000002682A678CB0, 16 bytes long.
 Data: <&#176;=h*h           > B0 3D 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002682A6791B0, 16 bytes long.
 Data: < =h*h           > 88 3D 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002682A67F5F0, 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 0x000002682A679390, 16 bytes long.
 Data: <`=h*h           > 60 3D 68 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002682A683D60, 992 bytes long.
 Data: < &#147;g*h   &#240;&#245;g*h   > 90 93 67 2A 68 02 00 00 F0 F5 67 2A 68 02 00 00 
{87} normal block at 0x000002682A67F170, 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 0x000002682A678AD0, 16 bytes long.
 Data: < &#223;g*h           > 20 DF 67 2A 68 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002682A67DF20, 40 bytes long.
 Data: <&#208;&#138;g*h   p&#241;g*h   > D0 8A 67 2A 68 02 00 00 70 F1 67 2A 68 02 00 00 
{64} normal block at 0x000002682A6797F0, 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 0x000002682A679570, 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 0x000002682A6792F0, 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 0x000002682A678FD0, 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 0x000002682A678F80, 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 0x000002682A679840, 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 0x000002682A6798E0, 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 0x000002682A678BC0, 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 0x000002682A679610, 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 0x000002682A678E40, 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