Task 38654100

Name test_271-GPUGRID_TEST_ATM_40STEP_20261023-2-40-RND0767_0
Workunit 31597944
Created 24 Oct 2026, 6:42:25 UTC
Sent 24 Oct 2026, 6:44:08 UTC
Report deadline 29 Oct 2026, 6:44:08 UTC
Received 24 Oct 2026, 7:51:25 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 640711
Run time 57 min 46 sec
CPU time 57 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,852.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.18 MB
Peak swap size 6.70 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:46:05 (20616): wrapper (7.9.26016): starting
02:46:05 (20616): 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
02:46:06 (20616): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:46:06 (20616): 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\15\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\15\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
03:50:16 (20616): C:/Windows/system32/cmd.exe exited; CPU time 3466.375000
03:50:16 (20616): 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: 37650253 bytes.
Dumping objects ->
{3835305} normal block at 0x0000025BF7EDCA80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835294} normal block at 0x0000025BF7EDCD20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835283} normal block at 0x0000025BF7EDD500, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835272} normal block at 0x0000025BF61F4CE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x0000025BF61F5220, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835230} normal block at 0x0000025BF7F24840, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835219} normal block at 0x0000025BF7F3F790, 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) : {3835216} normal block at 0x0000025BF61EE080, 8 bytes long.
 Data: <  g&#246;[   > 00 00 67 F6 5B 02 00 00 
{3834584} normal block at 0x0000025BF7F3F2C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833973} normal block at 0x0000025BF61ED8B0, 8 bytes long.
 Data: <PF &#246;[   > 50 46 1F F6 5B 02 00 00 
..\zip\boinc_zip.cpp(122) : {318} normal block at 0x0000025BF61F1A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000025BF61E6550, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{302} normal block at 0x0000025BF61F5F90, 16 bytes long.
 Data: <&#248;j &#246;[           > F8 6A 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000025BF61F5E50, 16 bytes long.
 Data: <&#208;j &#246;[           > D0 6A 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000025BF61EFFB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{299} normal block at 0x0000025BF61F5DB0, 16 bytes long.
 Data: <&#168;j &#246;[           > A8 6A 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025BF61F6440, 16 bytes long.
 Data: < j &#246;[           > 80 6A 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000025BF61F5C70, 16 bytes long.
 Data: <Xj &#246;[           > 58 6A 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025BF61F6260, 16 bytes long.
 Data: <0j &#246;[           > 30 6A 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025BF61F5300, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{294} normal block at 0x0000025BF61F5E00, 16 bytes long.
 Data: <&#216;&#238; &#246;[           > D8 EE 1E F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025BF61EF350, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{292} normal block at 0x0000025BF61F66C0, 16 bytes long.
 Data: <&#176;&#238; &#246;[           > B0 EE 1E F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025BF61F5810, 16 bytes long.
 Data: < &#238; &#246;[           > 88 EE 1E F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000025BF61F5A90, 16 bytes long.
 Data: <`&#238; &#246;[           > 60 EE 1E F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025BF61F5EF0, 16 bytes long.
 Data: <8&#238; &#246;[           > 38 EE 1E F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000025BF61F61C0, 16 bytes long.
 Data: < &#238; &#246;[           > 10 EE 1E F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000025BF61F5D10, 16 bytes long.
 Data: <&#232;&#237; &#246;[           > E8 ED 1E F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025BF61EFE30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{284} normal block at 0x0000025BF61F6350, 16 bytes long.
 Data: <&#192;&#237; &#246;[           > C0 ED 1E F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025BF61EEDC0, 320 bytes long.
 Data: <Pc &#246;[   0&#254; &#246;[   > 50 63 1F F6 5B 02 00 00 30 FE 1E F6 5B 02 00 00 
{282} normal block at 0x0000025BF61F5D60, 16 bytes long.
 Data: < j &#246;[           > 10 6A 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025BF61F5B80, 16 bytes long.
 Data: <&#232;i &#246;[           > E8 69 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025BF61EFDD0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{279} normal block at 0x0000025BF61F59A0, 16 bytes long.
 Data: <&#192;i &#246;[           > C0 69 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025BF61EFD10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{277} normal block at 0x0000025BF61F5CC0, 16 bytes long.
 Data: < i &#246;[           > 08 69 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025BF61F6300, 16 bytes long.
 Data: <&#224;h &#246;[           > E0 68 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025BF61F6210, 16 bytes long.
 Data: <&#184;h &#246;[           > B8 68 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000025BF61F6170, 16 bytes long.
 Data: < h &#246;[           > 90 68 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025BF61F5B30, 16 bytes long.
 Data: <hh &#246;[           > 68 68 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000025BF61F5EA0, 16 bytes long.
 Data: <@h &#246;[           > 40 68 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025BF61F62B0, 16 bytes long.
 Data: <&#192;M &#246;[           > C0 4D 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025BF61F4DC0, 40 bytes long.
 Data: <&#176;b &#246;[   @H&#242;&#247;[   > B0 62 1F F6 5B 02 00 00 40 48 F2 F7 5B 02 00 00 
{268} normal block at 0x0000025BF61F6760, 16 bytes long.
 Data: < h &#246;[           > 20 68 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025BF61F5950, 16 bytes long.
 Data: <&#248;g &#246;[           > F8 67 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000025BF61EF470, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{265} normal block at 0x0000025BF61F6080, 16 bytes long.
 Data: <&#208;g &#246;[           > D0 67 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025BF61F67D0, 992 bytes long.
 Data: < ` &#246;[   p&#244; &#246;[   > 80 60 1F F6 5B 02 00 00 70 F4 1E F6 5B 02 00 00 
{100} normal block at 0x0000025BF61EF290, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{99} normal block at 0x0000025BF61ED4A0, 16 bytes long.
 Data: <0N &#246;[           > 30 4E 1F F6 5B 02 00 00 00 00 00 00 00 00 00 00 
{98} normal block at 0x0000025BF61F4E30, 40 bytes long.
 Data: <&#160;&#212; &#246;[    &#242; &#246;[   > A0 D4 1E F6 5B 02 00 00 90 F2 1E F6 5B 02 00 00 
{77} normal block at 0x0000025BF61ED5E0, 16 bytes long.
 Data: < &#234;&#239;&#145;&#247;           > 80 EA EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000025BF61ED630, 16 bytes long.
 Data: <@&#233;&#239;&#145;&#247;           > 40 E9 EF 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000025BF61ED860, 16 bytes long.
 Data: <&#248;W&#236;&#145;&#247;           > F8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000025BF61EDEA0, 16 bytes long.
 Data: <&#216;W&#236;&#145;&#247;           > D8 57 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000025BF61EDCC0, 16 bytes long.
 Data: <P &#236;&#145;&#247;           > 50 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000025BF61EE3F0, 16 bytes long.
 Data: <0 &#236;&#145;&#247;           > 30 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000025BF61EDA40, 16 bytes long.
 Data: <&#224; &#236;&#145;&#247;           > E0 02 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000025BF61EE3A0, 16 bytes long.
 Data: <  &#236;&#145;&#247;           > 10 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025BF61EE260, 16 bytes long.
 Data: <p &#236;&#145;&#247;           > 70 04 EC 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025BF61ED9A0, 16 bytes long.
 Data: < &#192;&#234;&#145;&#247;           > 18 C0 EA 91 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra