Task 38698928
| Name | test_256-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND5326_0 |
| Workunit | 31639389 |
| Created | 3 Nov 2026, 7:26:40 UTC |
| Sent | 3 Nov 2026, 7:26:43 UTC |
| Report deadline | 8 Nov 2026, 7:26:43 UTC |
| Received | 3 Nov 2026, 9:48:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 485535 |
| Run time | 1 hours 3 min 51 sec |
| CPU time | 56 min 18 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 654.45 MB |
| Peak swap size | 2.38 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:45:12 (10736): wrapper (7.9.26016): starting
09:45:12 (10736): 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
09:45:16 (10736): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:45:16 (10736): 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\1\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\1\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
10:46:28 (10736): C:/Windows/system32/cmd.exe exited; CPU time 3378.828125
10:46:28 (10736): 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: 50565989 bytes.
Dumping objects ->
{3835416} normal block at 0x000001ECCEA90DC0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835405} normal block at 0x000001ECCEA91530, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835394} normal block at 0x000001ECCEA91680, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835383} normal block at 0x000001ECCEA910D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835372} normal block at 0x000001ECCEA91920, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835341} normal block at 0x000001ECCEB3C6F0, 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) : {3835328} normal block at 0x000001ECCCFC6650, 8 bytes long.
Data: < –Îì > 00 00 96 CE EC 01 00 00
{3833949} normal block at 0x000001ECCCFC5CF0, 8 bytes long.
Data: <` ¶Îì > 60 0C B6 CE EC 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001ECCCFD0C60, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ECCCFBA6D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001ECCCFD1ED0, 16 bytes long.
Data: < 2ýÌì > 98 32 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001ECCCFD1C50, 16 bytes long.
Data: <p2ýÌì > 70 32 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ECCCFCC3E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001ECCCFD1BB0, 16 bytes long.
Data: <H2ýÌì > 48 32 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001ECCCFD22E0, 16 bytes long.
Data: < 2ýÌì > 20 32 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ECCCFD2560, 16 bytes long.
Data: <ø1ýÌì > F8 31 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ECCCFD2B00, 16 bytes long.
Data: <Ð1ýÌì > D0 31 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ECCCFCAD80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001ECCCFD2970, 16 bytes long.
Data: < \ûÌì > 08 5C FB CC EC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ECCCFCC260, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001ECCCFD2510, 16 bytes long.
Data: <à[ûÌì > E0 5B FB CC EC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ECCCFD2AB0, 16 bytes long.
Data: <¸[ûÌì > B8 5B FB CC EC 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001ECCCFD2A60, 16 bytes long.
Data: < [ûÌì > 90 5B FB CC EC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ECCCFD1F20, 16 bytes long.
Data: <h[ûÌì > 68 5B FB CC EC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ECCCFD1E80, 16 bytes long.
Data: <@[ûÌì > 40 5B FB CC EC 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001ECCCFD24C0, 16 bytes long.
Data: < [ûÌì > 18 5B FB CC EC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001ECCCFCCAA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001ECCCFD2740, 16 bytes long.
Data: <ðZûÌì > F0 5A FB CC EC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001ECCCFB5AF0, 320 bytes long.
Data: <@'ýÌì  ÊüÌì > 40 27 FD CC EC 01 00 00 A0 CA FC CC EC 01 00 00
{270} normal block at 0x000001ECCCFD2470, 16 bytes long.
Data: <°1ýÌì > B0 31 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ECCCFD2880, 16 bytes long.
Data: < 1ýÌì > 88 31 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ECCCFCC9E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001ECCCFD28D0, 16 bytes long.
Data: <`1ýÌì > 60 31 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001ECCCFCCB00, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001ECCCFD2420, 16 bytes long.
Data: <¨0ýÌì > A8 30 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ECCCFD26F0, 16 bytes long.
Data: < 0ýÌì > 80 30 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001ECCCFD2290, 16 bytes long.
Data: <X0ýÌì > 58 30 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ECCCFD2920, 16 bytes long.
Data: <00ýÌì > 30 30 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ECCCFD2650, 16 bytes long.
Data: < 0ýÌì > 08 30 FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001ECCCFD2830, 16 bytes long.
Data: <à/ýÌì > E0 2F FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001ECCCFD29C0, 16 bytes long.
Data: <°¯üÌì > B0 AF FC CC EC 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001ECCCFCAFB0, 40 bytes long.
Data: <À)ýÌì ðƳÎì > C0 29 FD CC EC 01 00 00 F0 C6 B3 CE EC 01 00 00
{256} normal block at 0x000001ECCCFD1E30, 16 bytes long.
Data: <À/ýÌì > C0 2F FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001ECCCFD2A10, 16 bytes long.
Data: < /ýÌì > 98 2F FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001ECCCFCCA40, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001ECCCFD2380, 16 bytes long.
Data: <p/ýÌì > 70 2F FD CC EC 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001ECCCFD2F70, 992 bytes long.
Data: < #ýÌì @ÊüÌì > 80 23 FD CC EC 01 00 00 40 CA FC CC EC 01 00 00
{88} normal block at 0x000001ECCCFCCC80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001ECCCFC5C50, 16 bytes long.
Data: <À«üÌì > C0 AB FC CC EC 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001ECCCFCABC0, 40 bytes long.
Data: <P\üÌì ÌüÌì > 50 5C FC CC EC 01 00 00 80 CC FC CC EC 01 00 00
{65} normal block at 0x000001ECCCFC6150, 16 bytes long.
Data: < ꜟö > 80 EA 9C 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ECCCFC5B60, 16 bytes long.
Data: <@霟ö > 40 E9 9C 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ECCCFC5DE0, 16 bytes long.
Data: <øW Ÿö > F8 57 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001ECCCFC6600, 16 bytes long.
Data: <ØW Ÿö > D8 57 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001ECCCFC6740, 16 bytes long.
Data: <P Ÿö > 50 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001ECCCFC66F0, 16 bytes long.
Data: <0 Ÿö > 30 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001ECCCFC5C00, 16 bytes long.
Data: <à Ÿö > E0 02 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001ECCCFC5F70, 16 bytes long.
Data: < Ÿö > 10 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001ECCCFC5F20, 16 bytes long.
Data: <p Ÿö > 70 04 99 9F F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001ECCCFC6880, 16 bytes long.
Data: < À—Ÿö > 18 C0 97 9F F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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