Task 38680365

Name test_696-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND6789_1
Workunit 31619494
Created 26 Oct 2026, 23:42:03 UTC
Sent 26 Oct 2026, 23:42:05 UTC
Report deadline 31 Oct 2026, 23:42:05 UTC
Received 27 Oct 2026, 0:22:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625376
Run time 33 min 42 sec
CPU time 32 min 24 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,184.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 684.79 MB
Peak swap size 3.55 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:48:59 (12004): wrapper (7.9.26016): starting
07:48:59 (12004): 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
07:49:01 (12004): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:49:01 (12004): 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 'D:\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 'D:\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
08:21:45 (12004): C:/Windows/system32/cmd.exe exited; CPU time 1944.015625
08:21:45 (12004): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 25703977 bytes.
Dumping objects ->
{3835056} normal block at 0x00000128AFF923B0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835045} normal block at 0x00000128AFF91BD0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835034} normal block at 0x00000128AFF91F50, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835023} normal block at 0x00000128AFF92110, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835012} normal block at 0x00000128AE4FB360, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3834981} normal block at 0x00000128B000B540, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3834970} normal block at 0x00000128AE4F9CB0, 200 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) : {3834967} normal block at 0x00000128AE4F6590, 8 bytes long.
 Data: <  J&#174;(   > 00 00 4A AE 28 01 00 00 
{3834466} normal block at 0x00000128AE4F9A90, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x00000128AE4F6950, 8 bytes long.
 Data: <&#176;&#139; &#176;(   > B0 8B 0A B0 28 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000128AE5021D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000128AE4E5B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x00000128AE503940, 16 bytes long.
 Data: <&#200;BP&#174;(           > C8 42 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000128AE503710, 16 bytes long.
 Data: <&#160;BP&#174;(           > A0 42 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000128AE4FDAB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x00000128AE503D00, 16 bytes long.
 Data: <xBP&#174;(           > 78 42 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000128AE503C10, 16 bytes long.
 Data: <PBP&#174;(           > 50 42 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000128AE5039E0, 16 bytes long.
 Data: <(BP&#174;(           > 28 42 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000128AE5036C0, 16 bytes long.
 Data: < BP&#174;(           > 00 42 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000128AE4FB210, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x00000128AE503620, 16 bytes long.
 Data: < ZN&#174;(           > 98 5A 4E AE 28 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000128AE4FDB10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x00000128AE503BC0, 16 bytes long.
 Data: <pZN&#174;(           > 70 5A 4E AE 28 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000128AE503E40, 16 bytes long.
 Data: <HZN&#174;(           > 48 5A 4E AE 28 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000128AE503DA0, 16 bytes long.
 Data: < ZN&#174;(           > 20 5A 4E AE 28 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000128AE5033A0, 16 bytes long.
 Data: <&#248;YN&#174;(           > F8 59 4E AE 28 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000128AE5038F0, 16 bytes long.
 Data: <&#208;YN&#174;(           > D0 59 4E AE 28 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000128AE503B70, 16 bytes long.
 Data: <&#168;YN&#174;(           > A8 59 4E AE 28 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000128AE4FDC90, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x00000128AE5031C0, 16 bytes long.
 Data: < YN&#174;(           > 80 59 4E AE 28 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000128AE4E5980, 320 bytes long.
 Data: <&#192;1P&#174;(    &#220;O&#174;(   > C0 31 50 AE 28 01 00 00 90 DC 4F AE 28 01 00 00 
{267} normal block at 0x00000128AE5038A0, 16 bytes long.
 Data: <&#224;AP&#174;(           > E0 41 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000128AE503850, 16 bytes long.
 Data: <&#184;AP&#174;(           > B8 41 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000128AE4FDE10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x00000128AE503300, 16 bytes long.
 Data: < AP&#174;(           > 90 41 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000128AE4FDCF0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x00000128AE503AD0, 16 bytes long.
 Data: <&#216;@P&#174;(           > D8 40 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000128AE5032B0, 16 bytes long.
 Data: <&#176;@P&#174;(           > B0 40 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000128AE503670, 16 bytes long.
 Data: < @P&#174;(           > 88 40 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000128AE503800, 16 bytes long.
 Data: <`@P&#174;(           > 60 40 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000128AE503530, 16 bytes long.
 Data: <8@P&#174;(           > 38 40 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000128AE503CB0, 16 bytes long.
 Data: < @P&#174;(           > 10 40 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000128AE503760, 16 bytes long.
 Data: < &#175;O&#174;(           > 00 AF 4F AE 28 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000128AE4FAF00, 40 bytes long.
 Data: <`7P&#174;(   @&#181; &#176;(   > 60 37 50 AE 28 01 00 00 40 B5 00 B0 28 01 00 00 
{253} normal block at 0x00000128AE5034E0, 16 bytes long.
 Data: <&#240;?P&#174;(           > F0 3F 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000128AE503490, 16 bytes long.
 Data: <&#200;?P&#174;(           > C8 3F 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000128AE4FD1B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x00000128AE503170, 16 bytes long.
 Data: <&#160;?P&#174;(           > A0 3F 50 AE 28 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000128AE503FA0, 992 bytes long.
 Data: <p1P&#174;(   &#176;&#209;O&#174;(   > 70 31 50 AE 28 01 00 00 B0 D1 4F AE 28 01 00 00 
{85} normal block at 0x00000128AE4FD630, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x00000128AE4F6F40, 16 bytes long.
 Data: <&#176;&#180;O&#174;(           > B0 B4 4F AE 28 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000128AE4FB4B0, 40 bytes long.
 Data: <@oO&#174;(   0&#214;O&#174;(   > 40 6F 4F AE 28 01 00 00 30 D6 4F AE 28 01 00 00 
{62} normal block at 0x00000128AE4F6E00, 16 bytes long.
 Data: < &#234;~&#192;&#247;           > 80 EA 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000128AE4F6CC0, 16 bytes long.
 Data: <@&#233;~&#192;&#247;           > 40 E9 7E C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000128AE4F62C0, 16 bytes long.
 Data: <&#248;W{&#192;&#247;           > F8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000128AE4F6D60, 16 bytes long.
 Data: <&#216;W{&#192;&#247;           > D8 57 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000128AE4F6A40, 16 bytes long.
 Data: <P {&#192;&#247;           > 50 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000128AE4F6270, 16 bytes long.
 Data: <0 {&#192;&#247;           > 30 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000128AE4F6C70, 16 bytes long.
 Data: <&#224; {&#192;&#247;           > E0 02 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000128AE4F66D0, 16 bytes long.
 Data: <  {&#192;&#247;           > 10 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000128AE4F6FE0, 16 bytes long.
 Data: <p {&#192;&#247;           > 70 04 7B C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000128AE4F6B30, 16 bytes long.
 Data: < &#192;y&#192;&#247;           > 18 C0 79 C0 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra