Task 38685370
| Name | test_200-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND1719_0 |
| Workunit | 31626840 |
| Created | 27 Oct 2026, 20:45:24 UTC |
| Sent | 27 Oct 2026, 20:45:32 UTC |
| Report deadline | 1 Nov 2026, 20:45:32 UTC |
| Received | 28 Oct 2026, 3:56:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609617 |
| Run time | 58 min 20 sec |
| CPU time | 58 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,564.25 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 687.86 MB |
| Peak swap size | 9.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:49:38 (8332): wrapper (7.9.26016): starting
03:49:38 (8332): 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
03:49:40 (8332): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:49:40 (8332): 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\23\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\23\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835155} normal block at 0x0000016107958A50, 8 bytes long.
Data: < a > 00 00 8D 07 61 01 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x0000016109623930, 1080 bytes long.
Data: <p > 70 02 00 00 CD CD CD CD 04 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000016107961F80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
05:48:55 (6820): wrapper (7.9.26016): starting
05:48:55 (6820): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\23\tmp 㦥 áãé¥áâ¢ã¥â.
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
05:57:51 (6820): C:/Windows/system32/cmd.exe exited; CPU time 442.250000
05:57:51 (6820): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 4213333 bytes.
Dumping objects ->
{1598} normal block at 0x0000022A5817AF90, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1587} normal block at 0x0000022A5817B2A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1576} normal block at 0x0000022A5817B460, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1565} normal block at 0x0000022A5817B1C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1554} normal block at 0x0000022A5817B310, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1523} normal block at 0x0000022A58165AA0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1512} normal block at 0x0000022A58184FB0, 180 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) : {1508} normal block at 0x0000022A58181370, 8 bytes long.
Data: < Y* > 00 00 BC 59 2A 02 00 00
{901} normal block at 0x0000022A5816AED0, 180 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{298} normal block at 0x0000022A58181140, 8 bytes long.
Data: <04 X* > 30 34 18 58 2A 02 00 00
{289} normal block at 0x0000022A58165A10, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x0000022A58181B40, 16 bytes long.
Data: <83 X* > 38 33 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022A58181A50, 16 bytes long.
Data: < 3 X* > 10 33 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022A5817C280, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x0000022A581816E0, 16 bytes long.
Data: < 2 X* > E8 32 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022A58181410, 16 bytes long.
Data: < 2 X* > C0 32 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000022A58181AF0, 16 bytes long.
Data: < 2 X* > 98 32 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000022A58180C90, 16 bytes long.
Data: <p2 X* > 70 32 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022A5817B0E0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x0000022A581810A0, 16 bytes long.
Data: < X* > E8 C0 17 58 2A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022A5817CEE0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x0000022A58180E20, 16 bytes long.
Data: < X* > C0 C0 17 58 2A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022A581810F0, 16 bytes long.
Data: < X* > 98 C0 17 58 2A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000022A58181910, 16 bytes long.
Data: <p X* > 70 C0 17 58 2A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022A58181820, 16 bytes long.
Data: <H X* > 48 C0 17 58 2A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000022A58181690, 16 bytes long.
Data: < X* > 20 C0 17 58 2A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022A58180D80, 16 bytes long.
Data: < X* > F8 BF 17 58 2A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022A5817C1C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x0000022A58181640, 16 bytes long.
Data: < X* > D0 BF 17 58 2A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022A5817BFD0, 320 bytes long.
Data: <@ X* X* > 40 16 18 58 2A 02 00 00 C0 C1 17 58 2A 02 00 00
{268} normal block at 0x0000022A58181050, 16 bytes long.
Data: <P2 X* > 50 32 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022A58180FB0, 16 bytes long.
Data: <(2 X* > 28 32 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022A5817CD00, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x0000022A58181230, 16 bytes long.
Data: < 2 X* > 00 32 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022A5817CB80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x0000022A581815F0, 16 bytes long.
Data: <H1 X* > 48 31 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000022A58181000, 16 bytes long.
Data: < 1 X* > 20 31 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022A58180CE0, 16 bytes long.
Data: < 0 X* > F8 30 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022A58181780, 16 bytes long.
Data: < 0 X* > D0 30 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000022A58181460, 16 bytes long.
Data: < 0 X* > A8 30 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022A581812D0, 16 bytes long.
Data: < 0 X* > 80 30 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000022A58180F60, 16 bytes long.
Data: < X* > 00 B0 17 58 2A 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000022A5817B000, 40 bytes long.
Data: <` X* Z X* > 60 0F 18 58 2A 02 00 00 A0 5A 16 58 2A 02 00 00
{254} normal block at 0x0000022A58180F10, 16 bytes long.
Data: <`0 X* > 60 30 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000022A581811E0, 16 bytes long.
Data: <80 X* > 38 30 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000022A5817C5E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x0000022A58181AA0, 16 bytes long.
Data: < 0 X* > 10 30 18 58 2A 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000022A58183010, 992 bytes long.
Data: < X* X* > A0 1A 18 58 2A 02 00 00 E0 C5 17 58 2A 02 00 00
{86} normal block at 0x0000022A5817CB20, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x0000022A58176260, 16 bytes long.
Data: < X* > 80 B3 17 58 2A 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000022A5817B380, 40 bytes long.
Data: <`b X* X* > 60 62 17 58 2A 02 00 00 20 CB 17 58 2A 02 00 00
{63} normal block at 0x0000022A581767B0, 16 bytes long.
Data: < v > 80 EA 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022A58176170, 16 bytes long.
Data: <@ v > 40 E9 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000022A58176530, 16 bytes long.
Data: < W v > F8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000022A58176620, 16 bytes long.
Data: < W v > D8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000022A58176760, 16 bytes long.
Data: <P v > 50 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000022A58176120, 16 bytes long.
Data: <0 v > 30 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x0000022A58176A30, 16 bytes long.
Data: < v > E0 02 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x0000022A58176300, 16 bytes long.
Data: < v > 10 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x0000022A58176EE0, 16 bytes long.
Data: <p v > 70 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x0000022A581764E0, 16 bytes long.
Data: < v > 18 C0 00 76 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra