Task 38679758
| Name | test_622-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND2574_0 |
| Workunit | 31621521 |
| Created | 26 Oct 2026, 21:39:28 UTC |
| Sent | 26 Oct 2026, 21:39:38 UTC |
| Report deadline | 31 Oct 2026, 21:39:38 UTC |
| Received | 26 Oct 2026, 22:35:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 624957 |
| Run time | 55 min 14 sec |
| CPU time | 52 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,878.75 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.68 MB |
| Peak swap size | 6.84 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:41:26 (25232): wrapper (7.9.26016): starting
16:41:26 (25232): 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
16:41:27 (25232): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:41:27 (25232): 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.
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
17:35:09 (25232): C:/Windows/system32/cmd.exe exited; CPU time 3169.109375
17:35:09 (25232): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 60281469 bytes.
Dumping objects ->
{3835204} normal block at 0x000001EDCA8CC3B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835193} normal block at 0x000001EDC8B14650, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835182} normal block at 0x000001EDC8B14B20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835171} normal block at 0x000001EDC8B14A40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835160} normal block at 0x000001EDC8B149D0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835129} normal block at 0x000001EDCA916300, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835116} normal block at 0x000001EDC8B0E770, 8 bytes long.
Data: < Éí > 00 00 02 C9 ED 01 00 00
{3833967} normal block at 0x000001EDC8B0EDB0, 8 bytes long.
Data: <@Ø’Êí > 40 D8 92 CA ED 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001EDC8B10650, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001EDC8AFE8C0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000001EDC8B15C20, 16 bytes long.
Data: <hd±Èí > 68 64 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001EDC8B15B80, 16 bytes long.
Data: <@d±Èí > 40 64 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001EDC8B10120, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000001EDC8B15AE0, 16 bytes long.
Data: < d±Èí > 18 64 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EDC8B15810, 16 bytes long.
Data: <ðc±Èí > F0 63 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EDC8B15220, 16 bytes long.
Data: <Èc±Èí > C8 63 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001EDC8B15CC0, 16 bytes long.
Data: < c±Èí > A0 63 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EDC8B14730, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000001EDC8B160D0, 16 bytes long.
Data: <¨õ¯Èí > A8 F5 AF C8 ED 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001EDC8B0F8E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000001EDC8B15A90, 16 bytes long.
Data: < õ¯Èí > 80 F5 AF C8 ED 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EDC8B15EA0, 16 bytes long.
Data: <Xõ¯Èí > 58 F5 AF C8 ED 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EDC8B15630, 16 bytes long.
Data: <0õ¯Èí > 30 F5 AF C8 ED 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EDC8B15900, 16 bytes long.
Data: < õ¯Èí > 08 F5 AF C8 ED 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EDC8B16080, 16 bytes long.
Data: <àô¯Èí > E0 F4 AF C8 ED 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001EDC8B15950, 16 bytes long.
Data: <¸ô¯Èí > B8 F4 AF C8 ED 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EDC8B0F640, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000001EDC8B15A40, 16 bytes long.
Data: < ô¯Èí > 90 F4 AF C8 ED 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EDC8AFF490, 320 bytes long.
Data: <@Z±Èí @ö°Èí > 40 5A B1 C8 ED 01 00 00 40 F6 B0 C8 ED 01 00 00
{279} normal block at 0x000001EDC8B15450, 16 bytes long.
Data: < c±Èí > 80 63 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001EDC8B15360, 16 bytes long.
Data: <Xc±Èí > 58 63 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EDC8B0F940, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000001EDC8B152C0, 16 bytes long.
Data: <0c±Èí > 30 63 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EDC8B100C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000001EDC8B158B0, 16 bytes long.
Data: <xb±Èí > 78 62 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EDC8B153B0, 16 bytes long.
Data: <Pb±Èí > 50 62 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EDC8B15400, 16 bytes long.
Data: <(b±Èí > 28 62 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EDC8B15180, 16 bytes long.
Data: < b±Èí > 00 62 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001EDC8B157C0, 16 bytes long.
Data: <Øa±Èí > D8 61 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EDC8B15680, 16 bytes long.
Data: <°a±Èí > B0 61 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001EDC8B159A0, 16 bytes long.
Data: < G±Èí > A0 47 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EDC8B147A0, 40 bytes long.
Data: < Y±Èí c‘Êí > A0 59 B1 C8 ED 01 00 00 00 63 91 CA ED 01 00 00
{265} normal block at 0x000001EDC8B15D60, 16 bytes long.
Data: < a±Èí > 90 61 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001EDC8B151D0, 16 bytes long.
Data: <ha±Èí > 68 61 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EDC8B0FEE0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000001EDC8B154F0, 16 bytes long.
Data: <@a±Èí > 40 61 B1 C8 ED 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001EDC8B16140, 992 bytes long.
Data: <ðT±Èí àþ°Èí > F0 54 B1 C8 ED 01 00 00 E0 FE B0 C8 ED 01 00 00
{97} normal block at 0x000001EDC8B0FA00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000001EDC8B0F0D0, 16 bytes long.
Data: <ЯÈí > D0 C2 AF C8 ED 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001EDC8AFC2D0, 40 bytes long.
Data: <Ðð°Èí ú°Èí > D0 F0 B0 C8 ED 01 00 00 00 FA B0 C8 ED 01 00 00
{74} normal block at 0x000001EDC8B0E680, 16 bytes long.
Data: < êÒ§÷ > 80 EA D2 A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001EDC8B0F120, 16 bytes long.
Data: <@éÒ§÷ > 40 E9 D2 A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001EDC8B0E9F0, 16 bytes long.
Data: <øWϧ÷ > F8 57 CF A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001EDC8B0F4E0, 16 bytes long.
Data: <ØWϧ÷ > D8 57 CF A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001EDC8B0E7C0, 16 bytes long.
Data: <P ϧ÷ > 50 04 CF A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EDC8B0ED60, 16 bytes long.
Data: <0 ϧ÷ > 30 04 CF A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EDC8B0E630, 16 bytes long.
Data: <à ϧ÷ > E0 02 CF A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EDC8B0F2B0, 16 bytes long.
Data: < ϧ÷ > 10 04 CF A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001EDC8B0EA90, 16 bytes long.
Data: <p ϧ÷ > 70 04 CF A7 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001EDC8B0EC70, 16 bytes long.
Data: < Àͧ÷ > 18 C0 CD A7 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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