Task 38683853

Name test_165-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5467_0
Workunit 31625393
Created 27 Oct 2026, 13:37:06 UTC
Sent 27 Oct 2026, 13:37:13 UTC
Report deadline 1 Nov 2026, 13:37:13 UTC
Received 27 Oct 2026, 14:28:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637164
Run time 25 min 44 sec
CPU time 24 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,356.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 796.10 MB
Peak swap size 25.12 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
09:03:08 (44788): wrapper (7.9.26016): starting
09:03:08 (44788): 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
09:03:09 (44788): Library/usr/bin/tar.exe exited; CPU time 0.031250
09:03:09 (44788): 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\121\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\121\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
09:27:47 (44788): C:/Windows/system32/cmd.exe exited; CPU time 1495.781250
09:27:47 (44788): 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: 41637865 bytes.
Dumping objects ->
{3835321} normal block at 0x000001FB82205BF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835310} normal block at 0x000001FB82206050, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835299} normal block at 0x000001FB82205B80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835288} normal block at 0x000001FB82205C60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x000001FB82206210, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835246} normal block at 0x000001FB8220CB80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000001FB8226F180, 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) : {3835232} normal block at 0x000001FB803EFF80, 8 bytes long.
 Data: <  ; &#251;   > 00 00 3B 80 FB 01 00 00 
{3834580} normal block at 0x000001FB8226F230, 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 0x000001FB803EFD50, 8 bytes long.
 Data: <&#176;R+&#130;&#251;   > B0 52 2B 82 FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001FB803E6500, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001FB803E7BE0, 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 0x000001FB803F6470, 16 bytes long.
 Data: <Hi? &#251;           > 48 69 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FB803F5750, 16 bytes long.
 Data: < i? &#251;           > 20 69 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FB803F0EA0, 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 0x000001FB803F6240, 16 bytes long.
 Data: <&#248;h? &#251;           > F8 68 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FB803F59D0, 16 bytes long.
 Data: <&#208;h? &#251;           > D0 68 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FB803F5700, 16 bytes long.
 Data: <&#168;h? &#251;           > A8 68 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FB803F56B0, 16 bytes long.
 Data: < h? &#251;           > 80 68 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FB803F3A80, 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 0x000001FB803F5F20, 16 bytes long.
 Data: <x&#250;= &#251;           > 78 FA 3D 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FB803F09C0, 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 0x000001FB803F60B0, 16 bytes long.
 Data: <P&#250;= &#251;           > 50 FA 3D 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FB803F5660, 16 bytes long.
 Data: <(&#250;= &#251;           > 28 FA 3D 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FB803F5D90, 16 bytes long.
 Data: < &#250;= &#251;           > 00 FA 3D 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FB803F6560, 16 bytes long.
 Data: <&#216;&#249;= &#251;           > D8 F9 3D 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FB803F6420, 16 bytes long.
 Data: <&#176;&#249;= &#251;           > B0 F9 3D 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FB803F5ED0, 16 bytes long.
 Data: < &#249;= &#251;           > 88 F9 3D 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FB803F1740, 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 0x000001FB803F5CF0, 16 bytes long.
 Data: <`&#249;= &#251;           > 60 F9 3D 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FB803DF960, 320 bytes long.
 Data: <&#240;\? &#251;   @ ? &#251;   > F0 5C 3F 80 FB 01 00 00 40 17 3F 80 FB 01 00 00 
{277} normal block at 0x000001FB803F6150, 16 bytes long.
 Data: <`h? &#251;           > 60 68 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FB803F6510, 16 bytes long.
 Data: <8h? &#251;           > 38 68 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FB803F0DE0, 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 0x000001FB803F65B0, 16 bytes long.
 Data: < h? &#251;           > 10 68 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FB803F0D20, 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 0x000001FB803F57F0, 16 bytes long.
 Data: <Xg? &#251;           > 58 67 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FB803F6100, 16 bytes long.
 Data: <0g? &#251;           > 30 67 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FB803F5C50, 16 bytes long.
 Data: < g? &#251;           > 08 67 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FB803F64C0, 16 bytes long.
 Data: <&#224;f? &#251;           > E0 66 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FB803F6290, 16 bytes long.
 Data: <&#184;f? &#251;           > B8 66 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FB803F5AC0, 16 bytes long.
 Data: < f? &#251;           > 90 66 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FB803F5FC0, 16 bytes long.
 Data: <09? &#251;           > 30 39 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FB803F3930, 40 bytes long.
 Data: <&#192;_? &#251;    &#203; &#130;&#251;   > C0 5F 3F 80 FB 01 00 00 80 CB 20 82 FB 01 00 00 
{263} normal block at 0x000001FB803F63D0, 16 bytes long.
 Data: <pf? &#251;           > 70 66 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FB803F6060, 16 bytes long.
 Data: <Hf? &#251;           > 48 66 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FB803F11A0, 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 0x000001FB803F5C00, 16 bytes long.
 Data: < f? &#251;           > 20 66 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FB803F6620, 992 bytes long.
 Data: < \? &#251;   &#160; ? &#251;   > 00 5C 3F 80 FB 01 00 00 A0 11 3F 80 FB 01 00 00 
{95} normal block at 0x000001FB803F15C0, 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 0x000001FB803F0160, 16 bytes long.
 Data: < =? &#251;           > 90 3D 3F 80 FB 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001FB803F3D90, 40 bytes long.
 Data: <` ? &#251;   &#192; ? &#251;   > 60 01 3F 80 FB 01 00 00 C0 15 3F 80 FB 01 00 00 
{72} normal block at 0x000001FB803F00C0, 16 bytes long.
 Data: < &#234;&#215;t&#246;           > 80 EA D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FB803EFB70, 16 bytes long.
 Data: <@&#233;&#215;t&#246;           > 40 E9 D7 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FB803F0070, 16 bytes long.
 Data: <&#248;W&#212;t&#246;           > F8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FB803F0700, 16 bytes long.
 Data: <&#216;W&#212;t&#246;           > D8 57 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FB803F05C0, 16 bytes long.
 Data: <P &#212;t&#246;           > 50 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FB803F0250, 16 bytes long.
 Data: <0 &#212;t&#246;           > 30 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FB803F0020, 16 bytes long.
 Data: <&#224; &#212;t&#246;           > E0 02 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FB803EFF30, 16 bytes long.
 Data: <  &#212;t&#246;           > 10 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FB803EFDA0, 16 bytes long.
 Data: <p &#212;t&#246;           > 70 04 D4 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FB803F0570, 16 bytes long.
 Data: < &#192;&#210;t&#246;           > 18 C0 D2 74 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra