Task 38689498

Name test_603-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND8577_0
Workunit 31630748
Created 28 Oct 2026, 21:21:35 UTC
Sent 28 Oct 2026, 21:21:44 UTC
Report deadline 2 Nov 2026, 21:21:44 UTC
Received 28 Oct 2026, 22:40:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 506550
Run time 33 min 22 sec
CPU time 22 min 6 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 744.36 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:06:25 (7740): wrapper (7.9.26016): starting
15:06:25 (7740): 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
15:06:26 (7740): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:06:26 (7740): 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\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 'C:\ProgramData\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
15:38:59 (7740): C:/Windows/system32/cmd.exe exited; CPU time 1326.859375
15:38:59 (7740): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 26364669 bytes.
Dumping objects ->
{3835241} normal block at 0x00000291D24E49F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835230} normal block at 0x00000291D24E4980, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x00000291D24E4F30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835208} normal block at 0x00000291D24E4C90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x00000291D24E4C20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835166} normal block at 0x00000291D42A9F80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835155} normal block at 0x00000291D41D0AB0, 155 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) : {3835151} normal block at 0x00000291D24DF650, 8 bytes long.
 Data: <  &#156;&#210;&#145;   > 00 00 9C D2 91 02 00 00 
{3834548} normal block at 0x00000291D41D0810, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000291D24DF560, 8 bytes long.
 Data: <&#176;&#227; &#212;&#145;   > B0 E3 19 D4 91 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000291D24E17B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000291D24D6C10, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000291D24E5E00, 16 bytes long.
 Data: <&#184;iN&#210;&#145;           > B8 69 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000291D24E5950, 16 bytes long.
 Data: < iN&#210;&#145;           > 90 69 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000291D24E05E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000291D24E5FE0, 16 bytes long.
 Data: <hiN&#210;&#145;           > 68 69 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000291D24E57C0, 16 bytes long.
 Data: <@iN&#210;&#145;           > 40 69 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000291D24E5EA0, 16 bytes long.
 Data: < iN&#210;&#145;           > 18 69 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000291D24E5770, 16 bytes long.
 Data: <&#240;hN&#210;&#145;           > F0 68 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000291D24E4A60, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000291D24E63A0, 16 bytes long.
 Data: <&#248;&#181;L&#210;&#145;           > F8 B5 4C D2 91 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000291D24DFD40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000291D24E5A40, 16 bytes long.
 Data: <&#208;&#181;L&#210;&#145;           > D0 B5 4C D2 91 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000291D24E5DB0, 16 bytes long.
 Data: <&#168;&#181;L&#210;&#145;           > A8 B5 4C D2 91 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000291D24E5810, 16 bytes long.
 Data: < &#181;L&#210;&#145;           > 80 B5 4C D2 91 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000291D24E5F90, 16 bytes long.
 Data: <X&#181;L&#210;&#145;           > 58 B5 4C D2 91 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000291D24E5860, 16 bytes long.
 Data: <0&#181;L&#210;&#145;           > 30 B5 4C D2 91 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000291D24E5D10, 16 bytes long.
 Data: < &#181;L&#210;&#145;           > 08 B5 4C D2 91 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000291D24E0100, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000291D24E5CC0, 16 bytes long.
 Data: <&#224;&#180;L&#210;&#145;           > E0 B4 4C D2 91 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000291D24CB4E0, 320 bytes long.
 Data: <&#192;\N&#210;&#145;     N&#210;&#145;   > C0 5C 4E D2 91 02 00 00 00 01 4E D2 91 02 00 00 
{274} normal block at 0x00000291D24E5B30, 16 bytes long.
 Data: <&#208;hN&#210;&#145;           > D0 68 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000291D24E5900, 16 bytes long.
 Data: <&#168;hN&#210;&#145;           > A8 68 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000291D24E0640, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000291D24E60D0, 16 bytes long.
 Data: < hN&#210;&#145;           > 80 68 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000291D24E0400, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000291D24E6580, 16 bytes long.
 Data: <&#200;gN&#210;&#145;           > C8 67 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000291D24E6080, 16 bytes long.
 Data: <&#160;gN&#210;&#145;           > A0 67 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000291D24E5F40, 16 bytes long.
 Data: <xgN&#210;&#145;           > 78 67 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000291D24E5A90, 16 bytes long.
 Data: <PgN&#210;&#145;           > 50 67 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000291D24E5E50, 16 bytes long.
 Data: <(gN&#210;&#145;           > 28 67 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000291D24E6260, 16 bytes long.
 Data: < gN&#210;&#145;           > 00 67 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000291D24E5B80, 16 bytes long.
 Data: < PN&#210;&#145;           > 10 50 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000291D24E5010, 40 bytes long.
 Data: < [N&#210;&#145;    &#159;*&#212;&#145;   > 80 5B 4E D2 91 02 00 00 80 9F 2A D4 91 02 00 00 
{260} normal block at 0x00000291D24E5C70, 16 bytes long.
 Data: <&#224;fN&#210;&#145;           > E0 66 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000291D24E5AE0, 16 bytes long.
 Data: <&#184;fN&#210;&#145;           > B8 66 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000291D24DFB60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000291D24E5D60, 16 bytes long.
 Data: < fN&#210;&#145;           > 90 66 4E D2 91 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000291D24E6690, 992 bytes long.
 Data: <`]N&#210;&#145;   `&#251;M&#210;&#145;   > 60 5D 4E D2 91 02 00 00 60 FB 4D D2 91 02 00 00 
{92} normal block at 0x00000291D24E0220, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000291D24DF0B0, 16 bytes long.
 Data: <&#192;&#199;L&#210;&#145;           > C0 C7 4C D2 91 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000291D24CC7C0, 40 bytes long.
 Data: <&#176;&#240;M&#210;&#145;     N&#210;&#145;   > B0 F0 4D D2 91 02 00 00 20 02 4E D2 91 02 00 00 
{69} normal block at 0x00000291D24DEFC0, 16 bytes long.
 Data: < &#234;W &#247;           > 80 EA 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000291D24DED40, 16 bytes long.
 Data: <@&#233;W &#247;           > 40 E9 57 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000291D24DEBB0, 16 bytes long.
 Data: <&#248;WT &#247;           > F8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000291D24DF790, 16 bytes long.
 Data: <&#216;WT &#247;           > D8 57 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000291D24DEED0, 16 bytes long.
 Data: <P T &#247;           > 50 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000291D24DF600, 16 bytes long.
 Data: <0 T &#247;           > 30 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000291D24DF740, 16 bytes long.
 Data: <&#224; T &#247;           > E0 02 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000291D24DF3D0, 16 bytes long.
 Data: <  T &#247;           > 10 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000291D24DEF70, 16 bytes long.
 Data: <p T &#247;           > 70 04 54 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000291D24DECF0, 16 bytes long.
 Data: < &#192;R &#247;           > 18 C0 52 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra