Task 38669655

Name test_537-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND8487_1
Workunit 31611940
Created 25 Oct 2026, 15:12:40 UTC
Sent 25 Oct 2026, 15:12:46 UTC
Report deadline 30 Oct 2026, 15:12:46 UTC
Received 25 Oct 2026, 16:28:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649650
Run time 21 min 13 sec
CPU time 19 min 21 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,149.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.32 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:04:04 (17164): wrapper (7.9.26016): starting
11:04:04 (17164): 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
11:04:05 (17164): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:04:05 (17164): 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
11:24:42 (17164): C:/Windows/system32/cmd.exe exited; CPU time 1161.609375
11:24:42 (17164): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 15637255 bytes.
Dumping objects ->
{3835569} normal block at 0x000001BA19743ED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000001BA19743D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000001BA19743B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000001BA19743E60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000001BA19743FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000001BA1B535EB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000001BA19744280, 235 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) : {3835480} normal block at 0x000001BA1973E480, 8 bytes long.
 Data: <  q &#186;   > 00 00 71 19 BA 01 00 00 
{3834703} normal block at 0x000001BA197443B0, 235 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 0x000001BA1973ECF0, 8 bytes long.
 Data: <&#224;&#213;r &#186;   > E0 D5 72 19 BA 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001BA19740F40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BA197368D0, 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 0x000001BA19745560, 16 bytes long.
 Data: <H]t &#186;           > 48 5D 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BA19744ED0, 16 bytes long.
 Data: < ]t &#186;           > 20 5D 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BA1973FB50, 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 0x000001BA19744C00, 16 bytes long.
 Data: <&#248;\t &#186;           > F8 5C 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BA19745100, 16 bytes long.
 Data: <&#208;\t &#186;           > D0 5C 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BA19744E80, 16 bytes long.
 Data: <&#168;\t &#186;           > A8 5C 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BA197453D0, 16 bytes long.
 Data: < \t &#186;           > 80 5C 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BA1972ED80, 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 0x000001BA19744DE0, 16 bytes long.
 Data: <&#168;&#241;r &#186;           > A8 F1 72 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BA1973FBB0, 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 0x000001BA19744F70, 16 bytes long.
 Data: < &#241;r &#186;           > 80 F1 72 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BA19744750, 16 bytes long.
 Data: <X&#241;r &#186;           > 58 F1 72 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BA19744F20, 16 bytes long.
 Data: <0&#241;r &#186;           > 30 F1 72 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BA19744A20, 16 bytes long.
 Data: < &#241;r &#186;           > 08 F1 72 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BA19745150, 16 bytes long.
 Data: <&#224;&#240;r &#186;           > E0 F0 72 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BA19744700, 16 bytes long.
 Data: <&#184;&#240;r &#186;           > B8 F0 72 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BA1973FE50, 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 0x000001BA19744E30, 16 bytes long.
 Data: < &#240;r &#186;           > 90 F0 72 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BA1972F090, 320 bytes long.
 Data: <0Nt &#186;   P&#254;s &#186;   > 30 4E 74 19 BA 01 00 00 50 FE 73 19 BA 01 00 00 
{273} normal block at 0x000001BA19744CA0, 16 bytes long.
 Data: <`\t &#186;           > 60 5C 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BA197452E0, 16 bytes long.
 Data: <8\t &#186;           > 38 5C 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BA1973F6D0, 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 0x000001BA197450B0, 16 bytes long.
 Data: < \t &#186;           > 10 5C 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BA1973F370, 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 0x000001BA19745380, 16 bytes long.
 Data: <X[t &#186;           > 58 5B 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BA19745290, 16 bytes long.
 Data: <0[t &#186;           > 30 5B 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BA19745510, 16 bytes long.
 Data: < [t &#186;           > 08 5B 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BA19744890, 16 bytes long.
 Data: <&#224;Zt &#186;           > E0 5A 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BA197454C0, 16 bytes long.
 Data: <&#184;Zt &#186;           > B8 5A 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BA19745330, 16 bytes long.
 Data: < Zt &#186;           > 90 5A 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BA19745010, 16 bytes long.
 Data: <@&#180;r &#186;           > 40 B4 72 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BA1972B440, 40 bytes long.
 Data: < Pt &#186;   &#176;^S &#186;   > 10 50 74 19 BA 01 00 00 B0 5E 53 1B BA 01 00 00 
{259} normal block at 0x000001BA197449D0, 16 bytes long.
 Data: <pZt &#186;           > 70 5A 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BA19744A70, 16 bytes long.
 Data: <HZt &#186;           > 48 5A 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001BA1973FA30, 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 0x000001BA19745060, 16 bytes long.
 Data: < Zt &#186;           > 20 5A 74 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001BA19745A20, 992 bytes long.
 Data: <`Pt &#186;   0&#250;s &#186;   > 60 50 74 19 BA 01 00 00 30 FA 73 19 BA 01 00 00 
{91} normal block at 0x000001BA1973F7F0, 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 0x000001BA1973EC50, 16 bytes long.
 Data: < &#197;r &#186;           > 80 C5 72 19 BA 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001BA1972C580, 40 bytes long.
 Data: <P&#236;s &#186;   &#240;&#247;s &#186;   > 50 EC 73 19 BA 01 00 00 F0 F7 73 19 BA 01 00 00 
{68} normal block at 0x000001BA1973E430, 16 bytes long.
 Data: < &#234;&#245; &#246;           > 80 EA F5 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001BA1973E3E0, 16 bytes long.
 Data: <@&#233;&#245; &#246;           > 40 E9 F5 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001BA1973ED90, 16 bytes long.
 Data: <&#248;W&#242; &#246;           > F8 57 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001BA1973E840, 16 bytes long.
 Data: <&#216;W&#242; &#246;           > D8 57 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001BA1973F010, 16 bytes long.
 Data: <P &#242; &#246;           > 50 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001BA1973EF20, 16 bytes long.
 Data: <0 &#242; &#246;           > 30 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001BA1973E340, 16 bytes long.
 Data: <&#224; &#242; &#246;           > E0 02 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001BA1973E2F0, 16 bytes long.
 Data: <  &#242; &#246;           > 10 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001BA1973E700, 16 bytes long.
 Data: <p &#242; &#246;           > 70 04 F2 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001BA1973E750, 16 bytes long.
 Data: < &#192;&#240; &#246;           > 18 C0 F0 1C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra