Task 38695276

Name test_814-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND8102_0
Workunit 31635986
Created 31 Oct 2026, 8:41:16 UTC
Sent 31 Oct 2026, 8:41:21 UTC
Report deadline 5 Nov 2026, 8:41:21 UTC
Received 31 Oct 2026, 10:54:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 638757
Run time 1 hours 13 min 54 sec
CPU time 1 hours 11 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.20 MB
Peak swap size 11.39 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:40:47 (31912): wrapper (7.9.26016): starting
05:40:47 (31912): 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
05:40:48 (31912): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:40:48 (31912): 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\2\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\2\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
06:53:31 (31912): C:/Windows/system32/cmd.exe exited; CPU time 4299.046875
06:53:31 (31912): 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: 85419085 bytes.
Dumping objects ->
{3835275} normal block at 0x00000161AEF95DE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x00000161AEF95B40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x00000161AEF95D70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x00000161AEF95AD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x00000161AEF95980, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x00000161B0C56190, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x00000161B0C6F3D0, 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) : {3835186} normal block at 0x00000161AEF91F20, 8 bytes long.
 Data: <  &#246;&#174;a   > 00 00 F6 AE 61 01 00 00 
{3834564} normal block at 0x00000161B0C700E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000161AEF91F70, 8 bytes long.
 Data: <&#176;O&#203;&#176;a   > B0 4F CB B0 61 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000161AEF87520, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000161AEF88BC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000161AEF96EB0, 16 bytes long.
 Data: <xt&#249;&#174;a           > 78 74 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000161AEF96780, 16 bytes long.
 Data: <Pt&#249;&#174;a           > 50 74 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000161AEF90770, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000161AEF96FF0, 16 bytes long.
 Data: <(t&#249;&#174;a           > 28 74 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000161AEF965A0, 16 bytes long.
 Data: < t&#249;&#174;a           > 00 74 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000161AEF96910, 16 bytes long.
 Data: <&#216;s&#249;&#174;a           > D8 73 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000161AEF96690, 16 bytes long.
 Data: <&#176;s&#249;&#174;a           > B0 73 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000161AEF96010, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000161AEF96C30, 16 bytes long.
 Data: < &#175;&#248;&#174;a           > 18 AF F8 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000161AEF90AD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000161AEF96F50, 16 bytes long.
 Data: <&#240;&#174;&#248;&#174;a           > F0 AE F8 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000161AEF96AA0, 16 bytes long.
 Data: <&#200;&#174;&#248;&#174;a           > C8 AE F8 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000161AEF96820, 16 bytes long.
 Data: <&#160;&#174;&#248;&#174;a           > A0 AE F8 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000161AEF96190, 16 bytes long.
 Data: <x&#174;&#248;&#174;a           > 78 AE F8 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000161AEF963C0, 16 bytes long.
 Data: <P&#174;&#248;&#174;a           > 50 AE F8 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000161AEF96460, 16 bytes long.
 Data: <(&#174;&#248;&#174;a           > 28 AE F8 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000161AEF910D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000161AEF96A50, 16 bytes long.
 Data: < &#174;&#248;&#174;a           > 00 AE F8 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000161AEF8AE00, 320 bytes long.
 Data: <Pj&#249;&#174;a   &#208; &#249;&#174;a   > 50 6A F9 AE 61 01 00 00 D0 10 F9 AE 61 01 00 00 
{275} normal block at 0x00000161AEF967D0, 16 bytes long.
 Data: < s&#249;&#174;a           > 90 73 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000161AEF96550, 16 bytes long.
 Data: <hs&#249;&#174;a           > 68 73 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000161AEF90F50, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000161AEF96500, 16 bytes long.
 Data: <@s&#249;&#174;a           > 40 73 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000161AEF90650, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000161AEF96D70, 16 bytes long.
 Data: < r&#249;&#174;a           > 88 72 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000161AEF96FA0, 16 bytes long.
 Data: <`r&#249;&#174;a           > 60 72 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000161AEF96370, 16 bytes long.
 Data: <8r&#249;&#174;a           > 38 72 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000161AEF96BE0, 16 bytes long.
 Data: < r&#249;&#174;a           > 10 72 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000161AEF96B90, 16 bytes long.
 Data: <&#232;q&#249;&#174;a           > E8 71 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000161AEF96B40, 16 bytes long.
 Data: <&#192;q&#249;&#174;a           > C0 71 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000161AEF970E0, 16 bytes long.
 Data: <0_&#249;&#174;a           > 30 5F F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000161AEF95F30, 40 bytes long.
 Data: <&#224;p&#249;&#174;a    a&#197;&#176;a   > E0 70 F9 AE 61 01 00 00 90 61 C5 B0 61 01 00 00 
{261} normal block at 0x00000161AEF962D0, 16 bytes long.
 Data: <&#160;q&#249;&#174;a           > A0 71 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000161AEF96E10, 16 bytes long.
 Data: <xq&#249;&#174;a           > 78 71 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000161AEF91370, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000161AEF96F00, 16 bytes long.
 Data: <Pq&#249;&#174;a           > 50 71 F9 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000161AEF97150, 992 bytes long.
 Data: < o&#249;&#174;a   p &#249;&#174;a   > 00 6F F9 AE 61 01 00 00 70 13 F9 AE 61 01 00 00 
{93} normal block at 0x00000161AEF90EF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000161AEF92100, 16 bytes long.
 Data: <&#176;&#214;&#247;&#174;a           > B0 D6 F7 AE 61 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000161AEF7D6B0, 40 bytes long.
 Data: < !&#249;&#174;a   &#240; &#249;&#174;a   > 00 21 F9 AE 61 01 00 00 F0 0E F9 AE 61 01 00 00 
{70} normal block at 0x00000161AEF91ED0, 16 bytes long.
 Data: < &#234;;&#213;&#246;           > 80 EA 3B D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000161AEF921A0, 16 bytes long.
 Data: <@&#233;;&#213;&#246;           > 40 E9 3B D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000161AEF92330, 16 bytes long.
 Data: <&#248;W8&#213;&#246;           > F8 57 38 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000161AEF917F0, 16 bytes long.
 Data: <&#216;W8&#213;&#246;           > D8 57 38 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000161AEF91E30, 16 bytes long.
 Data: <P 8&#213;&#246;           > 50 04 38 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000161AEF91CA0, 16 bytes long.
 Data: <0 8&#213;&#246;           > 30 04 38 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000161AEF91D90, 16 bytes long.
 Data: <&#224; 8&#213;&#246;           > E0 02 38 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000161AEF916B0, 16 bytes long.
 Data: <  8&#213;&#246;           > 10 04 38 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000161AEF91A70, 16 bytes long.
 Data: <p 8&#213;&#246;           > 70 04 38 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000161AEF920B0, 16 bytes long.
 Data: < &#192;6&#213;&#246;           > 18 C0 36 D5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra