Task 38676539
| Name | test_427-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND3387_0 |
| Workunit | 31618446 |
| Created | 26 Oct 2026, 11:37:01 UTC |
| Sent | 26 Oct 2026, 11:37:08 UTC |
| Report deadline | 31 Oct 2026, 11:37:08 UTC |
| Received | 26 Oct 2026, 12:39:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 575233 |
| Run time | 30 min 38 sec |
| CPU time | 27 min 49 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,247.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 710.52 MB |
| Peak swap size | 9.79 GB |
| Peak disk usage | 4.20 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
13:10:31 (66480): wrapper (7.9.26016): starting
13:10:31 (66480): 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
13:11:18 (66480): Library/usr/bin/tar.exe exited; CPU time 0.234375
13:11:18 (66480): 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 'D:\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 'D:\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
13:39:24 (66480): C:/Windows/system32/cmd.exe exited; CPU time 1669.625000
13:39:24 (66480): 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: 37955607 bytes.
Dumping objects ->
{3835278} normal block at 0x000002CB1C2E63B0, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835267} normal block at 0x000002CB1C2E6180, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835256} normal block at 0x000002CB1A526700, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835245} normal block at 0x000002CB1A526460, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835234} normal block at 0x000002CB1A526380, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835203} normal block at 0x000002CB1C289A90, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835190} normal block at 0x000002CB1A51BED0, 8 bytes long.
Data: < › Ë > 00 00 9B 1A CB 02 00 00
{3833975} normal block at 0x000002CB1A51C3D0, 8 bytes long.
Data: <`ç Ë > 60 E7 19 1C CB 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000002CB1A522E40, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002CB1A517AB0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x000002CB1A527410, 16 bytes long.
Data: <È R Ë > C8 7F 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002CB1A527320, 16 bytes long.
Data: <  R Ë > A0 7F 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002CB1A51F9B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x000002CB1A527050, 16 bytes long.
Data: <x R Ë > 78 7F 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002CB1A527640, 16 bytes long.
Data: <P R Ë > 50 7F 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002CB1A526F10, 16 bytes long.
Data: <( R Ë > 28 7F 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002CB1A5279B0, 16 bytes long.
Data: < R Ë > 00 7F 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002CB1A5264D0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x000002CB1A526D30, 16 bytes long.
Data: <(¤Q Ë > 28 A4 51 1A CB 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002CB1A520250, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x000002CB1A527460, 16 bytes long.
Data: < ¤Q Ë > 00 A4 51 1A CB 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002CB1A5270A0, 16 bytes long.
Data: <Ø£Q Ë > D8 A3 51 1A CB 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002CB1A526F60, 16 bytes long.
Data: <°£Q Ë > B0 A3 51 1A CB 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002CB1A5275F0, 16 bytes long.
Data: < £Q Ë > 88 A3 51 1A CB 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002CB1A527A00, 16 bytes long.
Data: <`£Q Ë > 60 A3 51 1A CB 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002CB1A526E20, 16 bytes long.
Data: <8£Q Ë > 38 A3 51 1A CB 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002CB1A51FE30, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x000002CB1A526E70, 16 bytes long.
Data: < £Q Ë > 10 A3 51 1A CB 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002CB1A51A310, 320 bytes long.
Data: <pnR Ë 0þQ Ë > 70 6E 52 1A CB 02 00 00 30 FE 51 1A CB 02 00 00
{283} normal block at 0x000002CB1A527190, 16 bytes long.
Data: <à~R Ë > E0 7E 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002CB1A527730, 16 bytes long.
Data: <¸~R Ë > B8 7E 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002CB1A51FB90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x000002CB1A527500, 16 bytes long.
Data: < ~R Ë > 90 7E 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002CB1A520430, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x000002CB1A5277D0, 16 bytes long.
Data: <Ø}R Ë > D8 7D 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002CB1A527AF0, 16 bytes long.
Data: <°}R Ë > B0 7D 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002CB1A527B40, 16 bytes long.
Data: < }R Ë > 88 7D 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002CB1A5270F0, 16 bytes long.
Data: <`}R Ë > 60 7D 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002CB1A527C30, 16 bytes long.
Data: <8}R Ë > 38 7D 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002CB1A527BE0, 16 bytes long.
Data: < }R Ë > 10 7D 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002CB1A527230, 16 bytes long.
Data: < fR Ë > 20 66 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002CB1A526620, 40 bytes long.
Data: <0rR Ë š( Ë > 30 72 52 1A CB 02 00 00 90 9A 28 1C CB 02 00 00
{269} normal block at 0x000002CB1A527820, 16 bytes long.
Data: <ð|R Ë > F0 7C 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002CB1A527550, 16 bytes long.
Data: <È|R Ë > C8 7C 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002CB1A51F6B0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x000002CB1A527690, 16 bytes long.
Data: < |R Ë > A0 7C 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002CB1A527CA0, 992 bytes long.
Data: < vR Ë °öQ Ë > 90 76 52 1A CB 02 00 00 B0 F6 51 1A CB 02 00 00
{101} normal block at 0x000002CB1A51F830, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x000002CB1A51B840, 16 bytes long.
Data: <P R Ë > 50 12 52 1A CB 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000002CB1A521250, 40 bytes long.
Data: <@¸Q Ë 0øQ Ë > 40 B8 51 1A CB 02 00 00 30 F8 51 1A CB 02 00 00
{78} normal block at 0x000002CB1A51BF20, 16 bytes long.
Data: < ê)n÷ > 80 EA 29 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002CB1A51B750, 16 bytes long.
Data: <@é)n÷ > 40 E9 29 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002CB1A51BBB0, 16 bytes long.
Data: <øW&n÷ > F8 57 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002CB1A51C0B0, 16 bytes long.
Data: <ØW&n÷ > D8 57 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002CB1A51BC50, 16 bytes long.
Data: <P &n÷ > 50 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002CB1A51C010, 16 bytes long.
Data: <0 &n÷ > 30 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002CB1A51B610, 16 bytes long.
Data: <à &n÷ > E0 02 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002CB1A51B9D0, 16 bytes long.
Data: < &n÷ > 10 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002CB1A51BB10, 16 bytes long.
Data: <p &n÷ > 70 04 26 6E F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002CB1A51C290, 16 bytes long.
Data: < À$n÷ > 18 C0 24 6E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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