Task 38683433
| Name | test_480-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND6492_0 |
| Workunit | 31624991 |
| Created | 27 Oct 2026, 11:49:01 UTC |
| Sent | 27 Oct 2026, 11:49:05 UTC |
| Report deadline | 1 Nov 2026, 11:49:05 UTC |
| Received | 27 Oct 2026, 14:50:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609617 |
| Run time | 58 min 35 sec |
| CPU time | 57 min 46 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 | 688.89 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>
14:42:09 (10636): wrapper (7.9.26016): starting
14:42:09 (10636): 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
14:42:17 (10636): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:42:17 (10636): 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\17\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\17\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 0x00000243014E6C10, 8 bytes long.
Data: < H C > 00 00 48 01 43 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x00000243030CEA40, 1080 bytes long.
Data: < " > 20 22 00 00 CD CD CD CD AC 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000243014EFCA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:42:33 (2720): wrapper (7.9.26016): starting
16:42:33 (2720): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\17\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
16:51:01 (2720): C:/Windows/system32/cmd.exe exited; CPU time 411.875000
16:51:01 (2720): 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: 4241231 bytes.
Dumping objects ->
{1598} normal block at 0x000002C4E157C810, 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 0x000002C4E157C730, 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 0x000002C4E157C6C0, 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 0x000002C4E157C7A0, 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 0x000002C4E157CC00, 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 0x000002C4E15666D0, 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 0x000002C4E156ADF0, 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 0x000002C4E15833C0, 8 bytes long.
Data: < N > 00 00 4E E1 C4 02 00 00
{901} normal block at 0x000002C4E15661B0, 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 0x000002C4E1582EC0, 8 bytes long.
Data: < <X > B0 3C 58 E1 C4 02 00 00
{289} normal block at 0x000002C4E156E1C0, 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 0x000002C4E15834B0, 16 bytes long.
Data: < ;X > B8 3B 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002C4E1582C90, 16 bytes long.
Data: < ;X > 90 3B 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002C4E157E810, 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 0x000002C4E1582FB0, 16 bytes long.
Data: <h;X > 68 3B 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C4E1583460, 16 bytes long.
Data: <@;X > 40 3B 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C4E1583410, 16 bytes long.
Data: < ;X > 18 3B 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C4E1582D80, 16 bytes long.
Data: < :X > F0 3A 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C4E157CC70, 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 0x000002C4E1582C40, 16 bytes long.
Data: < W > F8 D8 57 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002C4E157E6F0, 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 0x000002C4E1582F60, 16 bytes long.
Data: < W > D0 D8 57 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C4E1582BF0, 16 bytes long.
Data: < W > A8 D8 57 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002C4E1582B50, 16 bytes long.
Data: < W > 80 D8 57 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002C4E1582D30, 16 bytes long.
Data: <X W > 58 D8 57 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002C4E1582A10, 16 bytes long.
Data: <0 W > 30 D8 57 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002C4E1583370, 16 bytes long.
Data: < W > 08 D8 57 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C4E157E0F0, 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 0x000002C4E1583320, 16 bytes long.
Data: < W > E0 D7 57 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C4E157D7E0, 320 bytes long.
Data: < 3X W > 20 33 58 E1 C4 02 00 00 F0 E0 57 E1 C4 02 00 00
{268} normal block at 0x000002C4E1582E20, 16 bytes long.
Data: < :X > D0 3A 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002C4E15832D0, 16 bytes long.
Data: < :X > A8 3A 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C4E157DF10, 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 0x000002C4E1583280, 16 bytes long.
Data: < :X > 80 3A 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002C4E157DBB0, 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 0x000002C4E1583550, 16 bytes long.
Data: < 9X > C8 39 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002C4E1583640, 16 bytes long.
Data: < 9X > A0 39 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002C4E1583780, 16 bytes long.
Data: <x9X > 78 39 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002C4E1582B00, 16 bytes long.
Data: <P9X > 50 39 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002C4E15835F0, 16 bytes long.
Data: <(9X > 28 39 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002C4E1583690, 16 bytes long.
Data: < 9X > 00 39 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002C4E1583230, 16 bytes long.
Data: < W > F0 C8 57 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002C4E157C8F0, 40 bytes long.
Data: <02X fV > 30 32 58 E1 C4 02 00 00 D0 66 56 E1 C4 02 00 00
{254} normal block at 0x000002C4E1582CE0, 16 bytes long.
Data: < 8X > E0 38 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002C4E15836E0, 16 bytes long.
Data: < 8X > B8 38 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002C4E157E150, 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 0x000002C4E1582F10, 16 bytes long.
Data: < 8X > 90 38 58 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002C4E1583890, 992 bytes long.
Data: < /X P W > 10 2F 58 E1 C4 02 00 00 50 E1 57 E1 C4 02 00 00
{86} normal block at 0x000002C4E157E7B0, 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 0x000002C4E1578100, 16 bytes long.
Data: < W > 90 CB 57 E1 C4 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002C4E157CB90, 40 bytes long.
Data: < W W > 00 81 57 E1 C4 02 00 00 B0 E7 57 E1 C4 02 00 00
{63} normal block at 0x000002C4E1578010, 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 0x000002C4E1577CF0, 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 0x000002C4E1578510, 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 0x000002C4E15783D0, 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 0x000002C4E1577C50, 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 0x000002C4E15786F0, 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 0x000002C4E1577FC0, 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 0x000002C4E1577D40, 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 0x000002C4E15781A0, 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 0x000002C4E1577CA0, 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