Task 38672179
| Name | test_702-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND5484_0 |
| Workunit | 31614346 |
| Created | 25 Oct 2026, 22:40:38 UTC |
| Sent | 25 Oct 2026, 22:40:40 UTC |
| Report deadline | 30 Oct 2026, 22:40:40 UTC |
| Received | 26 Oct 2026, 1:49:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638123 |
| Run time | 32 min 47 sec |
| CPU time | 30 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,615.78 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 713.89 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
21:16:57 (26140): wrapper (7.9.26016): starting
21:16:57 (26140): 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
21:16:58 (26140): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:16:58 (26140): 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\2\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\2\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
21:49:06 (26140): C:/Windows/system32/cmd.exe exited; CPU time 1855.937500
21:49:06 (26140): 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: 40058357 bytes.
Dumping objects ->
{3835478} normal block at 0x0000017461CED570, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835467} normal block at 0x0000017461CED180, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835456} normal block at 0x0000017461CECD90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835445} normal block at 0x000001745FE94B70, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835434} normal block at 0x000001745FE94B00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835403} normal block at 0x0000017461D3BA50, 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) : {3835390} normal block at 0x000001745FE90C40, 8 bytes long.
Data: < 8`t > 00 00 38 60 74 01 00 00
{3833961} normal block at 0x000001745FE91320, 8 bytes long.
Data: <`RÙat > 60 52 D9 61 74 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001745FE86D50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001745FE87AE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x000001745FE96450, 16 bytes long.
Data: <ØVé_t > D8 56 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001745FE95CD0, 16 bytes long.
Data: <°Vé_t > B0 56 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001745FE8FFE0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x000001745FE96360, 16 bytes long.
Data: < Vé_t > 88 56 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001745FE95960, 16 bytes long.
Data: <`Vé_t > 60 56 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001745FE95A50, 16 bytes long.
Data: <8Vé_t > 38 56 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001745FE95870, 16 bytes long.
Data: < Vé_t > 10 56 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001745FE94E80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x000001745FE96720, 16 bytes long.
Data: < ¹ç_t > 08 B9 E7 5F 74 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001745FE8FD40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x000001745FE95BE0, 16 bytes long.
Data: <à¸ç_t > E0 B8 E7 5F 74 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001745FE95910, 16 bytes long.
Data: <¸¸ç_t > B8 B8 E7 5F 74 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001745FE95AF0, 16 bytes long.
Data: < ¸ç_t > 90 B8 E7 5F 74 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001745FE95A00, 16 bytes long.
Data: <h¸ç_t > 68 B8 E7 5F 74 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001745FE96130, 16 bytes long.
Data: <@¸ç_t > 40 B8 E7 5F 74 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001745FE962C0, 16 bytes long.
Data: < ¸ç_t > 18 B8 E7 5F 74 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001745FE8FF20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x000001745FE95C30, 16 bytes long.
Data: <ð·ç_t > F0 B7 E7 5F 74 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001745FE7B7F0, 320 bytes long.
Data: <0\é_t ÿè_t > 30 5C E9 5F 74 01 00 00 20 FF E8 5F 74 01 00 00
{276} normal block at 0x000001745FE959B0, 16 bytes long.
Data: <ðUé_t > F0 55 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001745FE95FF0, 16 bytes long.
Data: <ÈUé_t > C8 55 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001745FE906A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x000001745FE95F00, 16 bytes long.
Data: < Ué_t > A0 55 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001745FE904C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x000001745FE96680, 16 bytes long.
Data: <èTé_t > E8 54 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001745FE95F50, 16 bytes long.
Data: <ÀTé_t > C0 54 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001745FE96180, 16 bytes long.
Data: < Té_t > 98 54 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001745FE966D0, 16 bytes long.
Data: <pTé_t > 70 54 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001745FE95820, 16 bytes long.
Data: <HTé_t > 48 54 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001745FE912D0, 16 bytes long.
Data: < Té_t > 20 54 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001745FE90920, 16 bytes long.
Data: < Jé_t > 20 4A E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001745FE94A20, 40 bytes long.
Data: < é_t PºÓat > 20 09 E9 5F 74 01 00 00 50 BA D3 61 74 01 00 00
{262} normal block at 0x000001745FE91050, 16 bytes long.
Data: < Té_t > 00 54 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001745FE90D30, 16 bytes long.
Data: <ØSé_t > D8 53 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001745FE901C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x000001745FE91780, 16 bytes long.
Data: <°Sé_t > B0 53 E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001745FE953B0, 992 bytes long.
Data: < é_t À é_t > 80 17 E9 5F 74 01 00 00 C0 01 E9 5F 74 01 00 00
{94} normal block at 0x000001745FE8FEC0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x000001745FE90F60, 16 bytes long.
Data: <0Mé_t > 30 4D E9 5F 74 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001745FE94D30, 40 bytes long.
Data: <` é_t Àþè_t > 60 0F E9 5F 74 01 00 00 C0 FE E8 5F 74 01 00 00
{71} normal block at 0x000001745FE911E0, 16 bytes long.
Data: < ê ;÷ > 80 EA 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001745FE91460, 16 bytes long.
Data: <@é ;÷ > 40 E9 98 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001745FE91690, 16 bytes long.
Data: <øW•;÷ > F8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001745FE91280, 16 bytes long.
Data: <ØW•;÷ > D8 57 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001745FE91140, 16 bytes long.
Data: <P •;÷ > 50 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001745FE910F0, 16 bytes long.
Data: <0 •;÷ > 30 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001745FE916E0, 16 bytes long.
Data: <à •;÷ > E0 02 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001745FE90CE0, 16 bytes long.
Data: < •;÷ > 10 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001745FE91550, 16 bytes long.
Data: <p •;÷ > 70 04 95 3B F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001745FE915F0, 16 bytes long.
Data: < À“;÷ > 18 C0 93 3B F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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