Task 38684129
| Name | test_702-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND5484_0 |
| Workunit | 31625652 |
| Created | 27 Oct 2026, 14:50:23 UTC |
| Sent | 27 Oct 2026, 14:50:36 UTC |
| Report deadline | 1 Nov 2026, 14:50:36 UTC |
| Received | 27 Oct 2026, 23:03:31 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 609617 |
| Run time | 58 min 29 sec |
| CPU time | 58 min 25 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 | 689.43 MB |
| Peak swap size | 9.76 GB |
| Peak disk usage | 4.13 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:55:13 (3268): wrapper (7.9.26016): starting
22:55:13 (3268): 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
22:55:19 (3268): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:55:19 (3268): 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\16\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\16\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 0x0000028D31987B40, 8 bytes long.
Data: < 1 > 00 00 94 31 8D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833944} normal block at 0x0000028D33613530, 1080 bytes long.
Data: < > 88 0A 00 00 CD CD CD CD A4 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000028D319931C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
00:54:36 (4444): wrapper (7.9.26016): starting
00:54:36 (4444): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
®¤¯ ¯ª  ¨«¨ ä ©« C:\ProgramData\BOINC\slots\16\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
01:04:03 (4444): C:/Windows/system32/cmd.exe exited; CPU time 465.296875
01:04:08 (4444): 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: 4609857 bytes.
Dumping objects ->
{1597} normal block at 0x0000023ED5FFA2F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1586} normal block at 0x0000023ED5FFA210, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1575} normal block at 0x0000023ED5FFA4B0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1564} normal block at 0x0000023ED5FFA520, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1553} normal block at 0x0000023ED5FFA910, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1522} normal block at 0x0000023ED5FEA1C0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1511} normal block at 0x0000023ED6004330, 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 0x0000023ED6002140, 8 bytes long.
Data: < > > 00 00 F8 D5 3E 02 00 00
{901} normal block at 0x0000023ED5FFB380, 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 0x0000023ED60020F0, 8 bytes long.
Data: < I > > 00 49 00 D6 3E 02 00 00
{289} normal block at 0x0000023ED5FE5B90, 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 0x0000023ED6002E10, 16 bytes long.
Data: < H > > 08 48 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023ED6002DC0, 16 bytes long.
Data: < G > > E0 47 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000023ED5FFBE20, 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 0x0000023ED6002690, 16 bytes long.
Data: < G > > B8 47 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000023ED6002D20, 16 bytes long.
Data: < G > > 90 47 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023ED6002CD0, 16 bytes long.
Data: <hG > > 68 47 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023ED60025A0, 16 bytes long.
Data: <@G > > 40 47 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023ED5FFA280, 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 0x0000023ED6002370, 16 bytes long.
Data: <([ > > 28 5B FE D5 3E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023ED5FFC0C0, 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 0x0000023ED6002320, 16 bytes long.
Data: < [ > > 00 5B FE D5 3E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023ED6002B40, 16 bytes long.
Data: < Z > > D8 5A FE D5 3E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000023ED6002960, 16 bytes long.
Data: < Z > > B0 5A FE D5 3E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023ED6002550, 16 bytes long.
Data: < Z > > 88 5A FE D5 3E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023ED6002A50, 16 bytes long.
Data: <`Z > > 60 5A FE D5 3E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000023ED6002BE0, 16 bytes long.
Data: <8Z > > 38 5A FE D5 3E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023ED5FFC060, 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 0x0000023ED60024B0, 16 bytes long.
Data: < Z > > 10 5A FE D5 3E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000023ED5FE5A10, 320 bytes long.
Data: < $ > ` > > B0 24 00 D6 3E 02 00 00 60 C0 FF D5 3E 02 00 00
{268} normal block at 0x0000023ED60022D0, 16 bytes long.
Data: < G > > 20 47 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000023ED6002A00, 16 bytes long.
Data: < F > > F8 46 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000023ED5FFBCA0, 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 0x0000023ED6002460, 16 bytes long.
Data: < F > > D0 46 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000023ED5FFB820, 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 0x0000023ED6002280, 16 bytes long.
Data: < F > > 18 46 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000023ED6002410, 16 bytes long.
Data: < E > > F0 45 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000023ED6002910, 16 bytes long.
Data: < E > > C8 45 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000023ED60028C0, 16 bytes long.
Data: < E > > A0 45 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000023ED6002230, 16 bytes long.
Data: <xE > > 78 45 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000023ED6002780, 16 bytes long.
Data: <PE > > 50 45 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000023ED60023C0, 16 bytes long.
Data: < > > C0 A7 FF D5 3E 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000023ED5FFA7C0, 40 bytes long.
Data: < # > > > C0 23 00 D6 3E 02 00 00 C0 A1 FE D5 3E 02 00 00
{254} normal block at 0x0000023ED6002C30, 16 bytes long.
Data: <0E > > 30 45 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x0000023ED60021E0, 16 bytes long.
Data: < E > > 08 45 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x0000023ED5FFC000, 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 0x0000023ED6002AF0, 16 bytes long.
Data: < D > > E0 44 00 D6 3E 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x0000023ED60044E0, 992 bytes long.
Data: < * > > > F0 2A 00 D6 3E 02 00 00 00 C0 FF D5 3E 02 00 00
{86} normal block at 0x0000023ED5FFB9A0, 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 0x0000023ED5FF6290, 16 bytes long.
Data: <@ > > 40 A4 FF D5 3E 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x0000023ED5FFA440, 40 bytes long.
Data: < b > > > 90 62 FF D5 3E 02 00 00 A0 B9 FF D5 3E 02 00 00
{63} normal block at 0x0000023ED5FF5C00, 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 0x0000023ED5FF5CA0, 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 0x0000023ED5FF5890, 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 0x0000023ED5FF6240, 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 0x0000023ED5FF61A0, 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 0x0000023ED5FF6150, 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 0x0000023ED5FF54D0, 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 0x0000023ED5FF6330, 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 0x0000023ED5FF6100, 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 0x0000023ED5FF5C50, 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>
]]>
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