Task 38665547

Name test_432-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND1570_1
Workunit 31608176
Created 25 Oct 2026, 1:11:15 UTC
Sent 25 Oct 2026, 1:23:16 UTC
Report deadline 30 Oct 2026, 1:23:16 UTC
Received 26 Oct 2026, 0:57:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627510
Run time 8 hours 56 min 57 sec
CPU time 8 hours 34 min 12 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.77 MB
Peak swap size 6.84 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
17:01:33 (248): wrapper (7.9.26016): starting
17:01:33 (248): 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
17:01:34 (248): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:01:34 (248): 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
01:57:05 (248): C:/Windows/system32/cmd.exe exited; CPU time 30852.859375
01:57:05 (248): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 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: 536222411 bytes.
Dumping objects ->
{3835239} normal block at 0x0000023235984670, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x00000232359844B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835217} normal block at 0x0000023235984590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835206} normal block at 0x0000023235984440, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x0000023235984520, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835164} normal block at 0x00000232376A4A40, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835153} normal block at 0x00000232359DC770, 144 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) : {3835150} normal block at 0x000002323597DFE0, 8 bytes long.
 Data: <  &#228;52   > 00 00 E4 35 32 02 00 00 
{3834550} normal block at 0x00000232359DDBC0, 144 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 0x000002323597E670, 8 bytes long.
 Data: <&#192; &#154;52   > C0 8F 9A 35 32 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000023235980780, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023235975970, 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 0x0000023235984A90, 16 bytes long.
 Data: < \ 52           > 88 5C 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023235985670, 16 bytes long.
 Data: <`\ 52           > 60 5C 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002323597F350, 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 0x0000023235985530, 16 bytes long.
 Data: <8\ 52           > 38 5C 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023235984DB0, 16 bytes long.
 Data: < \ 52           > 10 5C 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023235985490, 16 bytes long.
 Data: <&#232;[ 52           > E8 5B 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023235985080, 16 bytes long.
 Data: <&#192;[ 52           > C0 5B 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023235984280, 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 0x0000023235984EF0, 16 bytes long.
 Data: <x&#134;&#151;52           > 78 86 97 35 32 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002323597F110, 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 0x0000023235985030, 16 bytes long.
 Data: <P&#134;&#151;52           > 50 86 97 35 32 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023235984BD0, 16 bytes long.
 Data: <(&#134;&#151;52           > 28 86 97 35 32 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023235985440, 16 bytes long.
 Data: < &#134;&#151;52           > 00 86 97 35 32 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023235984D60, 16 bytes long.
 Data: <&#216;&#133;&#151;52           > D8 85 97 35 32 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000232359853F0, 16 bytes long.
 Data: <&#176;&#133;&#151;52           > B0 85 97 35 32 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000232359852B0, 16 bytes long.
 Data: < &#133;&#151;52           > 88 85 97 35 32 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002323597F290, 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 0x0000023235985260, 16 bytes long.
 Data: <`&#133;&#151;52           > 60 85 97 35 32 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023235978560, 320 bytes long.
 Data: <`R 52    &#242;&#151;52   > 60 52 98 35 32 02 00 00 90 F2 97 35 32 02 00 00 
{273} normal block at 0x0000023235985850, 16 bytes long.
 Data: <&#160;[ 52           > A0 5B 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023235985800, 16 bytes long.
 Data: <x[ 52           > 78 5B 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002323597F0B0, 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 0x0000023235985350, 16 bytes long.
 Data: <P[ 52           > 50 5B 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002323597F6B0, 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 0x0000023235984FE0, 16 bytes long.
 Data: < Z 52           > 98 5A 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000232359850D0, 16 bytes long.
 Data: <pZ 52           > 70 5A 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023235984B80, 16 bytes long.
 Data: <HZ 52           > 48 5A 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023235985580, 16 bytes long.
 Data: < Z 52           > 20 5A 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023235984F90, 16 bytes long.
 Data: <&#248;Y 52           > F8 59 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000232359857B0, 16 bytes long.
 Data: <&#208;Y 52           > D0 59 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023235984B30, 16 bytes long.
 Data: <&#224;? 52           > E0 3F 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023235983FE0, 40 bytes long.
 Data: <0K 52   @Jj72   > 30 4B 98 35 32 02 00 00 40 4A 6A 37 32 02 00 00 
{259} normal block at 0x00000232359854E0, 16 bytes long.
 Data: <&#176;Y 52           > B0 59 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023235985120, 16 bytes long.
 Data: < Y 52           > 88 59 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002323597F470, 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 0x0000023235984A40, 16 bytes long.
 Data: <`Y 52           > 60 59 98 35 32 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023235985960, 992 bytes long.
 Data: <@J 52   p&#244;&#151;52   > 40 4A 98 35 32 02 00 00 70 F4 97 35 32 02 00 00 
{91} normal block at 0x000002323597F590, 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 0x000002323597E530, 16 bytes long.
 Data: <&#240;&#237;&#150;52           > F0 ED 96 35 32 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000002323596EDF0, 40 bytes long.
 Data: <0&#229;&#151;52    &#245;&#151;52   > 30 E5 97 35 32 02 00 00 90 F5 97 35 32 02 00 00 
{68} normal block at 0x000002323597E080, 16 bytes long.
 Data: < &#234;&#248;;&#247;           > 80 EA F8 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002323597DE50, 16 bytes long.
 Data: <@&#233;&#248;;&#247;           > 40 E9 F8 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002323597E300, 16 bytes long.
 Data: <&#248;W&#245;;&#247;           > F8 57 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002323597E990, 16 bytes long.
 Data: <&#216;W&#245;;&#247;           > D8 57 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002323597E170, 16 bytes long.
 Data: <P &#245;;&#247;           > 50 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002323597DEA0, 16 bytes long.
 Data: <0 &#245;;&#247;           > 30 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002323597E620, 16 bytes long.
 Data: <&#224; &#245;;&#247;           > E0 02 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002323597EA30, 16 bytes long.
 Data: <  &#245;;&#247;           > 10 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002323597E260, 16 bytes long.
 Data: <p &#245;;&#247;           > 70 04 F5 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002323597DE00, 16 bytes long.
 Data: < &#192;&#243;;&#247;           > 18 C0 F3 3B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra