Task 38680094

Name test_165-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND5467_0
Workunit 31621837
Created 26 Oct 2026, 22:47:26 UTC
Sent 26 Oct 2026, 22:47:30 UTC
Report deadline 31 Oct 2026, 22:47:30 UTC
Received 26 Oct 2026, 23:53:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649737
Run time 1 hours 2 min 58 sec
CPU time 1 hours 0 min 32 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,635.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.22 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
11:50:54 (12156): wrapper (7.9.26016): starting
11:50:54 (12156): 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
11:50:56 (12156): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:50:56 (12156): 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\4\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\4\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
12:52:34 (12156): C:/Windows/system32/cmd.exe exited; CPU time 3632.453125
12:52:34 (12156): 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: 61111973 bytes.
Dumping objects ->
{3835297} normal block at 0x000002C913E17E10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835286} normal block at 0x000002C913E17A90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000002C913E179B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835264} normal block at 0x000002C9121DC310, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x000002C9121DC070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835222} normal block at 0x000002C913DBCA00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x000002C913E1EAA0, 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) : {3835208} normal block at 0x000002C9121D7580, 8 bytes long.
 Data: <    &#201;   > 00 00 1B 12 C9 02 00 00 
{3834578} normal block at 0x000002C913E1E1B0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000002C9121D7670, 8 bytes long.
 Data: <&#224;&#227;&#198; &#201;   > E0 E3 C6 13 C9 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002C9121E1170, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C9121DD360, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000002C9121E2ED0, 16 bytes long.
 Data: <(H  &#201;           > 28 48 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C9121E2750, 16 bytes long.
 Data: < H  &#201;           > 00 48 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C9121DDAF0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000002C9121E2E30, 16 bytes long.
 Data: <&#216;G  &#201;           > D8 47 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C9121E21B0, 16 bytes long.
 Data: <&#176;G  &#201;           > B0 47 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002C9121E2DE0, 16 bytes long.
 Data: < G  &#201;           > 88 47 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002C9121E2160, 16 bytes long.
 Data: <`G  &#201;           > 60 47 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C9121DC0E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000002C9121E2700, 16 bytes long.
 Data: <&#248;&#210;  &#201;           > F8 D2 1D 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C9121DE2D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000002C9121E2D90, 16 bytes long.
 Data: <&#208;&#210;  &#201;           > D0 D2 1D 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C9121E20C0, 16 bytes long.
 Data: <&#168;&#210;  &#201;           > A8 D2 1D 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002C9121E2E80, 16 bytes long.
 Data: < &#210;  &#201;           > 80 D2 1D 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C9121E2D40, 16 bytes long.
 Data: <X&#210;  &#201;           > 58 D2 1D 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002C9121E25C0, 16 bytes long.
 Data: <0&#210;  &#201;           > 30 D2 1D 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C9121E2CF0, 16 bytes long.
 Data: < &#210;  &#201;           > 08 D2 1D 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C9121DDBB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002C9121E2570, 16 bytes long.
 Data: <&#224;&#209;  &#201;           > E0 D1 1D 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C9121DD1E0, 320 bytes long.
 Data: <p%  &#201;   &#176;&#219;  &#201;   > 70 25 1E 12 C9 02 00 00 B0 DB 1D 12 C9 02 00 00 
{271} normal block at 0x000002C9121E2430, 16 bytes long.
 Data: <@G  &#201;           > 40 47 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C9121E2930, 16 bytes long.
 Data: < G  &#201;           > 18 47 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C9121DD790, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000002C9121E2110, 16 bytes long.
 Data: <&#240;F  &#201;           > F0 46 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C9121DD5B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000002C9121E24D0, 16 bytes long.
 Data: <8F  &#201;           > 38 46 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002C9121E2C00, 16 bytes long.
 Data: < F  &#201;           > 10 46 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C9121E2480, 16 bytes long.
 Data: <&#232;E  &#201;           > E8 45 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C9121E2A20, 16 bytes long.
 Data: <&#192;E  &#201;           > C0 45 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002C9121E28E0, 16 bytes long.
 Data: < E  &#201;           > 98 45 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C9121E2070, 16 bytes long.
 Data: <pE  &#201;           > 70 45 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002C9121E2020, 16 bytes long.
 Data: <`&#196;  &#201;           > 60 C4 1D 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002C9121DC460, 40 bytes long.
 Data: <    &#201;    &#202;&#219; &#201;   > 20 20 1E 12 C9 02 00 00 00 CA DB 13 C9 02 00 00 
{257} normal block at 0x000002C9121E29D0, 16 bytes long.
 Data: <PE  &#201;           > 50 45 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002C9121E2C50, 16 bytes long.
 Data: <(E  &#201;           > 28 45 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002C9121DE390, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000002C9121E23E0, 16 bytes long.
 Data: < E  &#201;           > 00 45 1E 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002C9121E4500, 992 bytes long.
 Data: <&#224;#  &#201;    &#227;  &#201;   > E0 23 1E 12 C9 02 00 00 90 E3 1D 12 C9 02 00 00 
{89} normal block at 0x000002C9121DD6D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002C9121D73F0, 16 bytes long.
 Data: < &#198;  &#201;           > 20 C6 1D 12 C9 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002C9121DC620, 40 bytes long.
 Data: <&#240;s  &#201;   &#208;&#214;  &#201;   > F0 73 1D 12 C9 02 00 00 D0 D6 1D 12 C9 02 00 00 
{66} normal block at 0x000002C9121D7FD0, 16 bytes long.
 Data: < &#234;&#156;&#173;&#246;           > 80 EA 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C9121D7F80, 16 bytes long.
 Data: <@&#233;&#156;&#173;&#246;           > 40 E9 9C AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C9121D7C10, 16 bytes long.
 Data: <&#248;W &#173;&#246;           > F8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C9121D81B0, 16 bytes long.
 Data: <&#216;W &#173;&#246;           > D8 57 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C9121D8250, 16 bytes long.
 Data: <P  &#173;&#246;           > 50 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002C9121D7A30, 16 bytes long.
 Data: <0  &#173;&#246;           > 30 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002C9121D7F30, 16 bytes long.
 Data: <&#224;  &#173;&#246;           > E0 02 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002C9121D7440, 16 bytes long.
 Data: <   &#173;&#246;           > 10 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002C9121D80C0, 16 bytes long.
 Data: <p  &#173;&#246;           > 70 04 99 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002C9121D77B0, 16 bytes long.
 Data: < &#192;&#151;&#173;&#246;           > 18 C0 97 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


©2026 Universitat Pompeu Fabra