Task 38684989
| Name | test_195-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND7941_0 |
| Workunit | 31626486 |
| Created | 27 Oct 2026, 18:54:15 UTC |
| Sent | 27 Oct 2026, 18:54:20 UTC |
| Report deadline | 1 Nov 2026, 18:54:20 UTC |
| Received | 27 Oct 2026, 19:52:30 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654060 |
| Run time | 25 min 36 sec |
| CPU time | 24 min 10 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 23,707.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 726.21 MB |
| Peak swap size | 8.40 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:27:17 (48644): wrapper (7.9.26016): starting
14:27:17 (48644): 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
14:27:18 (48644): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:27:18 (48644): 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\0\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\0\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
14:52:07 (48644): C:/Windows/system32/cmd.exe exited; CPU time 1450.046875
14:52:07 (48644): 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: 36813087 bytes.
Dumping objects ->
{3835258} normal block at 0x000001FB25DCCEA0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835247} normal block at 0x000001FB24064D10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835236} normal block at 0x000001FB24064CA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835225} normal block at 0x000001FB24064920, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835214} normal block at 0x000001FB240648B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835183} normal block at 0x000001FB25E18C70, 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) : {3835170} normal block at 0x000001FB2405EA50, 8 bytes long.
Data: < «%û > 00 00 AB 25 FB 01 00 00
{3833959} normal block at 0x000001FB2405E910, 8 bytes long.
Data: <PRç%û > 50 52 E7 25 FB 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001FB24060D40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001FB240566E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001FB24065C90, 16 bytes long.
Data: <HV $û > 48 56 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001FB24065830, 16 bytes long.
Data: < V $û > 20 56 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001FB2405FAD0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001FB24066190, 16 bytes long.
Data: <øU $û > F8 55 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001FB24065880, 16 bytes long.
Data: <ÐU $û > D0 55 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001FB240662D0, 16 bytes long.
Data: <¨U $û > A8 55 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001FB240661E0, 16 bytes long.
Data: < U $û > 80 55 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001FB24064B50, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001FB24066000, 16 bytes long.
Data: <ȵ $û > C8 B5 04 24 FB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001FB240601F0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001FB240665F0, 16 bytes long.
Data: < µ $û > A0 B5 04 24 FB 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001FB240657E0, 16 bytes long.
Data: <xµ $û > 78 B5 04 24 FB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001FB24065B00, 16 bytes long.
Data: <Pµ $û > 50 B5 04 24 FB 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001FB24065C40, 16 bytes long.
Data: <(µ $û > 28 B5 04 24 FB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001FB24065970, 16 bytes long.
Data: < µ $û > 00 B5 04 24 FB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001FB24066280, 16 bytes long.
Data: <Ø´ $û > D8 B4 04 24 FB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001FB24060670, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001FB24066410, 16 bytes long.
Data: <°´ $û > B0 B4 04 24 FB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001FB2404B4B0, 320 bytes long.
Data: < d $û p $û > 10 64 06 24 FB 01 00 00 70 06 06 24 FB 01 00 00
{275} normal block at 0x000001FB24065790, 16 bytes long.
Data: <`U $û > 60 55 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001FB24066690, 16 bytes long.
Data: <8U $û > 38 55 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001FB24060550, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001FB24065FB0, 16 bytes long.
Data: < U $û > 10 55 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001FB24060370, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001FB24066230, 16 bytes long.
Data: <XT $û > 58 54 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001FB24065F60, 16 bytes long.
Data: <0T $û > 30 54 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001FB240666E0, 16 bytes long.
Data: < T $û > 08 54 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001FB24065E20, 16 bytes long.
Data: <àS $û > E0 53 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001FB24066140, 16 bytes long.
Data: <¸S $û > B8 53 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001FB2405F5E0, 16 bytes long.
Data: < S $û > 90 53 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001FB2405F540, 16 bytes long.
Data: < I $û > 90 49 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001FB24064990, 40 bytes long.
Data: <@õ $û pŒá%û > 40 F5 05 24 FB 01 00 00 70 8C E1 25 FB 01 00 00
{261} normal block at 0x000001FB2405E870, 16 bytes long.
Data: <pS $û > 70 53 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001FB2405EF00, 16 bytes long.
Data: <HS $û > 48 53 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001FB2405F830, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001FB2405F180, 16 bytes long.
Data: < S $û > 20 53 06 24 FB 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001FB24065320, 992 bytes long.
Data: < ñ $û 0ø $û > 80 F1 05 24 FB 01 00 00 30 F8 05 24 FB 01 00 00
{93} normal block at 0x000001FB2405FE30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001FB2405F2C0, 16 bytes long.
Data: <°æ $û > B0 E6 05 24 FB 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001FB2405E6B0, 40 bytes long.
Data: <Àò $û 0þ $û > C0 F2 05 24 FB 01 00 00 30 FE 05 24 FB 01 00 00
{70} normal block at 0x000001FB2405EEB0, 16 bytes long.
Data: < êE­ö > 80 EA 45 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001FB2405EC30, 16 bytes long.
Data: <@éE­ö > 40 E9 45 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001FB2405EA00, 16 bytes long.
Data: <øWB­ö > F8 57 42 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001FB2405E8C0, 16 bytes long.
Data: <ØWB­ö > D8 57 42 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001FB2405EE60, 16 bytes long.
Data: <P B­ö > 50 04 42 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001FB2405EB90, 16 bytes long.
Data: <0 B­ö > 30 04 42 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001FB2405F630, 16 bytes long.
Data: <à B­ö > E0 02 42 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001FB2405E820, 16 bytes long.
Data: < B­ö > 10 04 42 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001FB2405F4A0, 16 bytes long.
Data: <p B­ö > 70 04 42 AD F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001FB2405EAF0, 16 bytes long.
Data: < À@­ö > 18 C0 40 AD F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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