Task 38650953

Name test_98-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND2255_0
Workunit 31595413
Created 24 Oct 2026, 0:35:14 UTC
Sent 24 Oct 2026, 0:50:45 UTC
Report deadline 29 Oct 2026, 0:50:45 UTC
Received 24 Oct 2026, 1:30:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653145
Run time 29 min 49 sec
CPU time 28 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 10,909.22 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 717.34 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:01:23 (20412): wrapper (7.9.26016): starting
04:01:23 (20412): 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
04:01:24 (20412): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:01:24 (20412): 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
04:30:34 (20412): C:/Windows/system32/cmd.exe exited; CPU time 1737.046875
04:30:34 (20412): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 23469157 bytes.
Dumping objects ->
{3835550} normal block at 0x00000288DFD4BF90, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x00000288DFD256B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x00000288DFD25480, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x00000288DFD25410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x00000288DFD25A30, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x00000288E19F8DB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x00000288E1920B90, 155 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) : {3835461} normal block at 0x00000288DFD1FB40, 8 bytes long.
 Data: <   &#224;    > 00 00 0E E0 88 02 00 00 
{3834689} normal block at 0x00000288E19202D0, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x00000288DFD1FCD0, 8 bytes long.
 Data: <`&#231;&#130;&#225;    > 60 E7 82 E1 88 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000288DFD21070, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000288DFD16FF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000288DFD26260, 16 bytes long.
 Data: <&#200;r&#210;&#223;            > C8 72 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000288DFD266C0, 16 bytes long.
 Data: <&#160;r&#210;&#223;            > A0 72 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000288DFD20840, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000288DFD26BC0, 16 bytes long.
 Data: <xr&#210;&#223;            > 78 72 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000288DFD26B20, 16 bytes long.
 Data: <Pr&#210;&#223;            > 50 72 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000288DFD263F0, 16 bytes long.
 Data: <(r&#210;&#223;            > 28 72 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000288DFD269E0, 16 bytes long.
 Data: < r&#210;&#223;            > 00 72 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000288DFD25870, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000288DFD26D00, 16 bytes long.
 Data: <&#232;\&#210;&#223;            > E8 5C D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000288DFD20900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000288DFD26080, 16 bytes long.
 Data: <&#192;\&#210;&#223;            > C0 5C D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000288DFD26440, 16 bytes long.
 Data: < \&#210;&#223;            > 98 5C D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000288DFD26CB0, 16 bytes long.
 Data: <p\&#210;&#223;            > 70 5C D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000288DFD26710, 16 bytes long.
 Data: <H\&#210;&#223;            > 48 5C D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000288DFD25FE0, 16 bytes long.
 Data: < \&#210;&#223;            > 20 5C D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000288DFD26990, 16 bytes long.
 Data: <&#248;[&#210;&#223;            > F8 5B D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000288DFD20F60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000288DFD26030, 16 bytes long.
 Data: <&#208;[&#210;&#223;            > D0 5B D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000288DFD25BD0, 320 bytes long.
 Data: <0`&#210;&#223;    ` &#210;&#223;    > 30 60 D2 DF 88 02 00 00 60 0F D2 DF 88 02 00 00 
{274} normal block at 0x00000288DFD26300, 16 bytes long.
 Data: <&#224;q&#210;&#223;            > E0 71 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000288DFD26EE0, 16 bytes long.
 Data: <&#184;q&#210;&#223;            > B8 71 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000288DFD20E40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000288DFD26E40, 16 bytes long.
 Data: <&#144;q&#210;&#223;            > 90 71 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000288DFD20DE0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000288DFD26AD0, 16 bytes long.
 Data: <&#216;p&#210;&#223;            > D8 70 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000288DFD268F0, 16 bytes long.
 Data: <&#176;p&#210;&#223;            > B0 70 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000288DFD26670, 16 bytes long.
 Data: < p&#210;&#223;            > 88 70 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000288DFD260D0, 16 bytes long.
 Data: <`p&#210;&#223;            > 60 70 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000288DFD26DF0, 16 bytes long.
 Data: <8p&#210;&#223;            > 38 70 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000288DFD26620, 16 bytes long.
 Data: < p&#210;&#223;            > 10 70 D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000288DFD26D50, 16 bytes long.
 Data: <&#160;Z&#210;&#223;            > A0 5A D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000288DFD25AA0, 40 bytes long.
 Data: <Pm&#210;&#223;    &#176;&#141;&#159;&#225;    > 50 6D D2 DF 88 02 00 00 B0 8D 9F E1 88 02 00 00 
{260} normal block at 0x00000288DFD26F30, 16 bytes long.
 Data: <&#240;o&#210;&#223;            > F0 6F D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000288DFD26A80, 16 bytes long.
 Data: <&#200;o&#210;&#223;            > C8 6F D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000288DFD20CC0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x00000288DFD26E90, 16 bytes long.
 Data: <&#160;o&#210;&#223;            > A0 6F D2 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000288DFD26FA0, 992 bytes long.
 Data: <&#144;n&#210;&#223;    &#192; &#210;&#223;    > 90 6E D2 DF 88 02 00 00 C0 0C D2 DF 88 02 00 00 
{92} normal block at 0x00000288DFD207E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000288DFD1F640, 16 bytes long.
 Data: <`&#197;&#208;&#223;            > 60 C5 D0 DF 88 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000288DFD0C560, 40 bytes long.
 Data: <@&#246;&#209;&#223;    &#224; &#210;&#223;    > 40 F6 D1 DF 88 02 00 00 E0 07 D2 DF 88 02 00 00 
{69} normal block at 0x00000288DFD1FE10, 16 bytes long.
 Data: <&#128;&#234;= &#247;           > 80 EA 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000288DFD1F820, 16 bytes long.
 Data: <@&#233;= &#247;           > 40 E9 3D 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000288DFD1F140, 16 bytes long.
 Data: <&#248;W: &#247;           > F8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000288DFD1FB90, 16 bytes long.
 Data: <&#216;W: &#247;           > D8 57 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000288DFD1F7D0, 16 bytes long.
 Data: <P : &#247;           > 50 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000288DFD1FA50, 16 bytes long.
 Data: <0 : &#247;           > 30 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000288DFD1FAF0, 16 bytes long.
 Data: <&#224; : &#247;           > E0 02 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000288DFD1FBE0, 16 bytes long.
 Data: <  : &#247;           > 10 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000288DFD1F1E0, 16 bytes long.
 Data: <p : &#247;           > 70 04 3A 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000288DFD1F9B0, 16 bytes long.
 Data: < &#192;8 &#247;           > 18 C0 38 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra