Task 38668931

Name test_757-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND7794_0
Workunit 31611342
Created 25 Oct 2026, 13:09:28 UTC
Sent 25 Oct 2026, 13:09:33 UTC
Report deadline 30 Oct 2026, 13:09:33 UTC
Received 27 Oct 2026, 0:04:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 58 min 24 sec
CPU time 53 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 660.16 MB
Peak swap size 6.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
00:03:45 (11692): wrapper (7.9.26016): starting
00:03:45 (11692): 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
00:03:46 (11692): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:03:46 (11692): 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\16\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\16\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
01:00:42 (11692): C:/Windows/system32/cmd.exe exited; CPU time 3230.875000
01:00:42 (11692): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 57638253 bytes.
Dumping objects ->
{3835239} normal block at 0x000001A779A341A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000001A779A342F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x000001A779A340C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x000001A779A34280, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001A779A34050, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x000001A77B6C4D40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x000001A779A8CEC0, 144 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) : {3835150} normal block at 0x000001A779A2E4E0, 8 bytes long.
 Data: <  &#156;y&#167;   > 00 00 9C 79 A7 01 00 00 
{3834550} normal block at 0x000001A779A8DFD0, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001A779A2E300, 8 bytes long.
 Data: <`&#151;&#165;y&#167;   > 60 97 A5 79 A7 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001A779A30280, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A779A25610, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001A779A355D0, 16 bytes long.
 Data: < \&#163;y&#167;           > 88 5C A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A779A353A0, 16 bytes long.
 Data: <`\&#163;y&#167;           > 60 5C A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A779A2EF30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001A779A34E00, 16 bytes long.
 Data: <8\&#163;y&#167;           > 38 5C A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A779A35120, 16 bytes long.
 Data: < \&#163;y&#167;           > 10 5C A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001A779A35580, 16 bytes long.
 Data: <&#232;[&#163;y&#167;           > E8 5B A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A779A35710, 16 bytes long.
 Data: <&#192;[&#163;y&#167;           > C0 5B A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001A779A343D0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001A779A356C0, 16 bytes long.
 Data: <x&#134;&#162;y&#167;           > 78 86 A2 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A779A2ECF0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001A779A34A40, 16 bytes long.
 Data: <P&#134;&#162;y&#167;           > 50 86 A2 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A779A35490, 16 bytes long.
 Data: <(&#134;&#162;y&#167;           > 28 86 A2 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A779A35350, 16 bytes long.
 Data: < &#134;&#162;y&#167;           > 00 86 A2 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A779A353F0, 16 bytes long.
 Data: <&#216;&#133;&#162;y&#167;           > D8 85 A2 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001A779A35300, 16 bytes long.
 Data: <&#176;&#133;&#162;y&#167;           > B0 85 A2 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A779A35530, 16 bytes long.
 Data: < &#133;&#162;y&#167;           > 88 85 A2 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001A779A2EC30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001A779A34CC0, 16 bytes long.
 Data: <`&#133;&#162;y&#167;           > 60 85 A2 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A779A28560, 320 bytes long.
 Data: <&#192;L&#163;y&#167;   0&#236;&#162;y&#167;   > C0 4C A3 79 A7 01 00 00 30 EC A2 79 A7 01 00 00 
{273} normal block at 0x000001A779A350D0, 16 bytes long.
 Data: <&#160;[&#163;y&#167;           > A0 5B A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A779A35080, 16 bytes long.
 Data: <x[&#163;y&#167;           > 78 5B A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001A779A2F050, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001A779A34F90, 16 bytes long.
 Data: <P[&#163;y&#167;           > 50 5B A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A779A2FA70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001A779A35030, 16 bytes long.
 Data: < Z&#163;y&#167;           > 98 5A A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A779A34D60, 16 bytes long.
 Data: <pZ&#163;y&#167;           > 70 5A A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A779A35260, 16 bytes long.
 Data: <HZ&#163;y&#167;           > 48 5A A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001A779A354E0, 16 bytes long.
 Data: < Z&#163;y&#167;           > 20 5A A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A779A35210, 16 bytes long.
 Data: <&#248;Y&#163;y&#167;           > F8 59 A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A779A352B0, 16 bytes long.
 Data: <&#208;Y&#163;y&#167;           > D0 59 A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A779A35760, 16 bytes long.
 Data: <@D&#163;y&#167;           > 40 44 A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A779A34440, 40 bytes long.
 Data: <`W&#163;y&#167;   @Ml{&#167;   > 60 57 A3 79 A7 01 00 00 40 4D 6C 7B A7 01 00 00 
{259} normal block at 0x000001A779A34F40, 16 bytes long.
 Data: <&#176;Y&#163;y&#167;           > B0 59 A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A779A34EA0, 16 bytes long.
 Data: < Y&#163;y&#167;           > 88 59 A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001A779A2F410, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001A779A35670, 16 bytes long.
 Data: <`Y&#163;y&#167;           > 60 59 A3 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001A779A35960, 992 bytes long.
 Data: <pV&#163;y&#167;    &#244;&#162;y&#167;   > 70 56 A3 79 A7 01 00 00 10 F4 A2 79 A7 01 00 00 
{91} normal block at 0x000001A779A2F9B0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001A779A2EA30, 16 bytes long.
 Data: <&#240;&#237;&#161;y&#167;           > F0 ED A1 79 A7 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001A779A1EDF0, 40 bytes long.
 Data: <0&#234;&#162;y&#167;   &#176;&#249;&#162;y&#167;   > 30 EA A2 79 A7 01 00 00 B0 F9 A2 79 A7 01 00 00 
{68} normal block at 0x000001A779A2E1C0, 16 bytes long.
 Data: < &#234;o7&#246;           > 80 EA 6F 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A779A2E440, 16 bytes long.
 Data: <@&#233;o7&#246;           > 40 E9 6F 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A779A2DEA0, 16 bytes long.
 Data: <&#248;Wl7&#246;           > F8 57 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A779A2E580, 16 bytes long.
 Data: <&#216;Wl7&#246;           > D8 57 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A779A2EB20, 16 bytes long.
 Data: <P l7&#246;           > 50 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A779A2E620, 16 bytes long.
 Data: <0 l7&#246;           > 30 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A779A2E6C0, 16 bytes long.
 Data: <&#224; l7&#246;           > E0 02 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001A779A2EAD0, 16 bytes long.
 Data: <  l7&#246;           > 10 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001A779A2E3F0, 16 bytes long.
 Data: <p l7&#246;           > 70 04 6C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001A779A2DF90, 16 bytes long.
 Data: < &#192;j7&#246;           > 18 C0 6A 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra