Task 38682936
| Name | test_403-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1692_0 |
| Workunit | 31624527 |
| Created | 27 Oct 2026, 9:45:15 UTC |
| Sent | 27 Oct 2026, 9:45:26 UTC |
| Report deadline | 1 Nov 2026, 9:45:26 UTC |
| Received | 27 Oct 2026, 10:16:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 575233 |
| Run time | 30 min 8 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 | 712.14 MB |
| Peak swap size | 9.79 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
10:47:48 (70884): wrapper (7.9.26016): starting
10:47:49 (70884): 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
10:47:51 (70884): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:47:51 (70884): 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
11:16:21 (70884): C:/Windows/system32/cmd.exe exited; CPU time 1669.406250
11:16:21 (70884): 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: 38376203 bytes.
Dumping objects ->
{3835278} normal block at 0x00000271F1BF7D00, 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 0x00000271F1BF7590, 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 0x00000271F1B25260, 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 0x00000271F1B251F0, 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 0x00000271F1B25180, 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 0x00000271F38DB880, 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 0x00000271F1B1A930, 8 bytes long.
Data: < «ñq > 00 00 AB F1 71 02 00 00
{3833975} normal block at 0x00000271F1B1A8E0, 8 bytes long.
Data: < F“óq > 00 46 93 F3 71 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x00000271F1B21B20, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x00000271F1B16690, 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 0x00000271F1B26550, 16 bytes long.
Data: <Xq²ñq > 58 71 B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000271F1B26500, 16 bytes long.
Data: <0q²ñq > 30 71 B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x00000271F1B1F510, 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 0x00000271F1B26050, 16 bytes long.
Data: < q²ñq > 08 71 B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000271F1B26460, 16 bytes long.
Data: <àp²ñq > E0 70 B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000271F1B26D70, 16 bytes long.
Data: <¸p²ñq > B8 70 B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000271F1B267D0, 16 bytes long.
Data: < p²ñq > 90 70 B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000271F1B25420, 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 0x00000271F1B25F60, 16 bytes long.
Data: <xù°ñq > 78 F9 B0 F1 71 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000271F1B1F030, 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 0x00000271F1B26C80, 16 bytes long.
Data: <Pù°ñq > 50 F9 B0 F1 71 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000271F1B264B0, 16 bytes long.
Data: <(ù°ñq > 28 F9 B0 F1 71 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000271F1B26D20, 16 bytes long.
Data: < ù°ñq > 00 F9 B0 F1 71 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000271F1B26C30, 16 bytes long.
Data: <Øø°ñq > D8 F8 B0 F1 71 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000271F1B263C0, 16 bytes long.
Data: <°ø°ñq > B0 F8 B0 F1 71 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000271F1B26B40, 16 bytes long.
Data: < ø°ñq > 88 F8 B0 F1 71 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000271F1B1F6F0, 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 0x00000271F1B26410, 16 bytes long.
Data: <`ø°ñq > 60 F8 B0 F1 71 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000271F1B0F860, 320 bytes long.
Data: < d²ñq ðö±ñq > 10 64 B2 F1 71 02 00 00 F0 F6 B1 F1 71 02 00 00
{283} normal block at 0x00000271F1B26690, 16 bytes long.
Data: <pp²ñq > 70 70 B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000271F1B26370, 16 bytes long.
Data: <Hp²ñq > 48 70 B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000271F1B1EDF0, 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 0x00000271F1B25E70, 16 bytes long.
Data: < p²ñq > 20 70 B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000271F1B1F3F0, 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 0x00000271F1B26140, 16 bytes long.
Data: <ho²ñq > 68 6F B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000271F1B26BE0, 16 bytes long.
Data: <@o²ñq > 40 6F B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000271F1B26000, 16 bytes long.
Data: < o²ñq > 18 6F B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000271F1B26320, 16 bytes long.
Data: <ðn²ñq > F0 6E B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000271F1B26CD0, 16 bytes long.
Data: <Èn²ñq > C8 6E B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000271F1B26910, 16 bytes long.
Data: < n²ñq > A0 6E B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000271F1B26AF0, 16 bytes long.
Data: <PV²ñq > 50 56 B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000271F1B25650, 40 bytes long.
Data: <ðj²ñq ¸ óq > F0 6A B2 F1 71 02 00 00 80 B8 8D F3 71 02 00 00
{269} normal block at 0x00000271F1B26B90, 16 bytes long.
Data: < n²ñq > 80 6E B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000271F1B26DC0, 16 bytes long.
Data: <Xn²ñq > 58 6E B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000271F1B1EA90, 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 0x00000271F1B26640, 16 bytes long.
Data: <0n²ñq > 30 6E B2 F1 71 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000271F1B26E30, 992 bytes long.
Data: <@f²ñq ê±ñq > 40 66 B2 F1 71 02 00 00 90 EA B1 F1 71 02 00 00
{101} normal block at 0x00000271F1B1F210, 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 0x00000271F1B1AED0, 16 bytes long.
Data: <0È°ñq > 30 C8 B0 F1 71 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x00000271F1B0C830, 40 bytes long.
Data: <Ю±ñq ò±ñq > D0 AE B1 F1 71 02 00 00 10 F2 B1 F1 71 02 00 00
{78} normal block at 0x00000271F1B1A890, 16 bytes long.
Data: < êéZ÷ > 80 EA E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000271F1B1B790, 16 bytes long.
Data: <@ééZ÷ > 40 E9 E9 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000271F1B1AA70, 16 bytes long.
Data: <øWæZ÷ > F8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000271F1B1AFC0, 16 bytes long.
Data: <ØWæZ÷ > D8 57 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000271F1B1AC00, 16 bytes long.
Data: <P æZ÷ > 50 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000271F1B1B060, 16 bytes long.
Data: <0 æZ÷ > 30 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000271F1B1AD90, 16 bytes long.
Data: <à æZ÷ > E0 02 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000271F1B1B380, 16 bytes long.
Data: < æZ÷ > 10 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000271F1B1B1A0, 16 bytes long.
Data: <p æZ÷ > 70 04 E6 5A F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000271F1B1ABB0, 16 bytes long.
Data: < ÀäZ÷ > 18 C0 E4 5A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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