Task 38677662
| Name | test_116-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND9077_0 |
| Workunit | 31619525 |
| Created | 26 Oct 2026, 15:00:37 UTC |
| Sent | 26 Oct 2026, 15:00:44 UTC |
| Report deadline | 31 Oct 2026, 15:00:44 UTC |
| Received | 27 Oct 2026, 13:25:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 641223 |
| Run time | 22 min 53 sec |
| CPU time | 22 min 23 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 40,554.03 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.04 MB |
| Peak swap size | 6.95 GB |
| Peak disk usage | 3.55 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
06:02:04 (13484): wrapper (7.9.26016): starting
06:02:04 (13484): 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
06:02:05 (13484): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:02:05 (13484): 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: Exiting with failure status due to previous errors
06:25:09 (13484): C:/Windows/system32/cmd.exe exited; CPU time 1343.265625
06:25:09 (13484): 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: 37359351 bytes.
Dumping objects ->
{3836262} normal block at 0x000001EFB379FC10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836251} normal block at 0x000001EFB379F9E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836240} normal block at 0x000001EFB379FDD0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3836229} normal block at 0x000001EFB1AD1B20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3836218} normal block at 0x000001EFB1AD1C70, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3836187} normal block at 0x000001EFB37E6790, 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) : {3836174} normal block at 0x000001EFB1ACFD00, 8 bytes long.
Data: < ¥±ï > 00 00 A5 B1 EF 01 00 00
{3833971} normal block at 0x000001EFB1AD0660, 8 bytes long.
Data: <Pêb³ï > 50 EA 62 B3 EF 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001EFB1AC7860, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001EFB1AC8900, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001EFB1AD7A20, 16 bytes long.
Data: <H„­±ï > 48 84 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001EFB1AD75C0, 16 bytes long.
Data: < „­±ï > 20 84 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001EFB1AD3530, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001EFB1AD72A0, 16 bytes long.
Data: <øƒ­±ï > F8 83 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001EFB1AD80B0, 16 bytes long.
Data: <Ѓ­±ï > D0 83 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001EFB1AD7480, 16 bytes long.
Data: <¨ƒ­±ï > A8 83 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001EFB1AD77F0, 16 bytes long.
Data: < ƒ­±ï > 80 83 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001EFB1AD1DC0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001EFB1AD7FC0, 16 bytes long.
Data: < ¬±ï > 18 03 AC B1 EF 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001EFB1AD2E10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001EFB1AD7430, 16 bytes long.
Data: <𠬱ï > F0 02 AC B1 EF 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001EFB1AD76B0, 16 bytes long.
Data: <È ¬±ï > C8 02 AC B1 EF 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001EFB1AD7570, 16 bytes long.
Data: <  ¬±ï > A0 02 AC B1 EF 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001EFB1AD7CF0, 16 bytes long.
Data: <x ¬±ï > 78 02 AC B1 EF 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001EFB1AD7520, 16 bytes long.
Data: <P ¬±ï > 50 02 AC B1 EF 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001EFB1AD73E0, 16 bytes long.
Data: <( ¬±ï > 28 02 AC B1 EF 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001EFB1AD39B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001EFB1AD7750, 16 bytes long.
Data: < ¬±ï > 00 02 AC B1 EF 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001EFB1AC0200, 320 bytes long.
Data: <Pw­±ï °9­±ï > 50 77 AD B1 EF 01 00 00 B0 39 AD B1 EF 01 00 00
{281} normal block at 0x000001EFB1AD7ED0, 16 bytes long.
Data: <`ƒ­±ï > 60 83 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001EFB1AD7D40, 16 bytes long.
Data: <8ƒ­±ï > 38 83 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001EFB1AD33B0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001EFB1AD7CA0, 16 bytes long.
Data: < ƒ­±ï > 10 83 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001EFB1AD3230, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001EFB1AD7200, 16 bytes long.
Data: <X‚­±ï > 58 82 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001EFB1AD7700, 16 bytes long.
Data: <0‚­±ï > 30 82 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001EFB1AD7B60, 16 bytes long.
Data: < ‚­±ï > 08 82 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001EFB1AD7C50, 16 bytes long.
Data: <à ­±ï > E0 81 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001EFB1AD7390, 16 bytes long.
Data: <¸ ­±ï > B8 81 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001EFB1AD7E80, 16 bytes long.
Data: < ­±ï > 90 81 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001EFB1AD77A0, 16 bytes long.
Data: <@!­±ï > 40 21 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001EFB1AD2140, 40 bytes long.
Data: < w­±ï g~³ï > A0 77 AD B1 EF 01 00 00 90 67 7E B3 EF 01 00 00
{267} normal block at 0x000001EFB1AD7980, 16 bytes long.
Data: <p ­±ï > 70 81 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001EFB1AD78E0, 16 bytes long.
Data: <H ­±ï > 48 81 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001EFB1AD3950, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001EFB1AD7C00, 16 bytes long.
Data: < ­±ï > 20 81 AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001EFB1AD8120, 992 bytes long.
Data: < |­±ï P9­±ï > 00 7C AD B1 EF 01 00 00 50 39 AD B1 EF 01 00 00
{99} normal block at 0x000001EFB1AD2C90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001EFB1ACFC10, 16 bytes long.
Data: <P ­±ï > 50 1D AD B1 EF 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001EFB1AD1D50, 40 bytes long.
Data: < ü¬±ï ,­±ï > 10 FC AC B1 EF 01 00 00 90 2C AD B1 EF 01 00 00
{76} normal block at 0x000001EFB1AD0250, 16 bytes long.
Data: < ê ö > 80 EA 90 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001EFB1AD02F0, 16 bytes long.
Data: <@é ö > 40 E9 90 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001EFB1ACFA30, 16 bytes long.
Data: <øW ö > F8 57 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001EFB1AD04D0, 16 bytes long.
Data: <ØW ö > D8 57 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001EFB1AD0390, 16 bytes long.
Data: <P ö > 50 04 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001EFB1ACFE90, 16 bytes long.
Data: <0 ö > 30 04 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001EFB1AD0520, 16 bytes long.
Data: <à ö > E0 02 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001EFB1ACFFD0, 16 bytes long.
Data: < ö > 10 04 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001EFB1ACFF80, 16 bytes long.
Data: <p ö > 70 04 8D 0D F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001EFB1AD0480, 16 bytes long.
Data: < À‹ ö > 18 C0 8B 0D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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