Task 38687879
| Name | test_855-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6200_0 |
| Workunit | 31629250 |
| Created | 28 Oct 2026, 10:19:18 UTC |
| Sent | 28 Oct 2026, 10:19:23 UTC |
| Report deadline | 2 Nov 2026, 10:19:23 UTC |
| Received | 28 Oct 2026, 11:09:20 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 47 min 18 sec |
| CPU time | 47 min 5 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,710.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 689.29 MB |
| Peak swap size | 6.77 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
18:21:12 (28264): wrapper (7.9.26016): starting
18:21:12 (28264): 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
18:21:13 (28264): Library/usr/bin/tar.exe exited; CPU time 0.015625
18:21:13 (28264): 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
19:07:38 (28264): C:/Windows/system32/cmd.exe exited; CPU time 2825.000000
19:07:38 (28264): 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: 42309049 bytes.
Dumping objects ->
{3835255} normal block at 0x00000291F69AC260, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x00000291F69ABB60, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x00000291F69ABD20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835222} normal block at 0x00000291F69ABAF0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x00000291F69AC810, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835180} normal block at 0x00000291FA1E2490, 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) : {3835167} normal block at 0x00000291F69A9490, 8 bytes long.
Data: < S > 00 00 53 F8 91 02 00 00
{3834025} normal block at 0x00000291F69A8D10, 8 bytes long.
Data: < # > D0 D4 23 FA 91 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x00000291F69A7430, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000291F698B8B0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x00000291F69A96C0, 16 bytes long.
Data: < > 08 88 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000291F69A89A0, 16 bytes long.
Data: < > E0 87 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000291F69A2470, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x00000291F69A93A0, 16 bytes long.
Data: < > B8 87 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000291F69A97B0, 16 bytes long.
Data: < > 90 87 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000291F69A9260, 16 bytes long.
Data: <h > 68 87 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000291F69A8B80, 16 bytes long.
Data: <@ > 40 87 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000291F69A1300, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x00000291F69A9350, 16 bytes long.
Data: < ! > 88 21 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000291F69A2E30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x00000291F69A4FF0, 16 bytes long.
Data: <`! > 60 21 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000291F69A4EB0, 16 bytes long.
Data: <8! > 38 21 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000291F69A4E60, 16 bytes long.
Data: < ! > 10 21 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000291F69A44B0, 16 bytes long.
Data: < > E8 20 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000291F69A4E10, 16 bytes long.
Data: < > C0 20 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000291F69A51D0, 16 bytes long.
Data: < > 98 20 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000291F69A2A10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x00000291F69A4910, 16 bytes long.
Data: <p > 70 20 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000291F69A2070, 320 bytes long.
Data: < I * > 10 49 9A F6 91 02 00 00 10 2A 9A F6 91 02 00 00
{268} normal block at 0x00000291F69A4D70, 16 bytes long.
Data: < > 20 87 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000291F69A4460, 16 bytes long.
Data: < > F8 86 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000291F69A28F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x00000291F69A4AF0, 16 bytes long.
Data: < > D0 86 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000291F69A2890, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x00000291F69A4870, 16 bytes long.
Data: < > 18 86 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000291F69A5310, 16 bytes long.
Data: < > F0 85 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000291F69A52C0, 16 bytes long.
Data: < > C8 85 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000291F69A45F0, 16 bytes long.
Data: < > A0 85 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000291F69A50E0, 16 bytes long.
Data: <x > 78 85 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000291F69A4FA0, 16 bytes long.
Data: <P > 50 85 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000291F69A4AA0, 16 bytes long.
Data: <@ > 40 11 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000291F69A1140, 40 bytes long.
Data: < J $ > A0 4A 9A F6 91 02 00 00 90 24 1E FA 91 02 00 00
{254} normal block at 0x00000291F69A45A0, 16 bytes long.
Data: <0 > 30 85 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x00000291F69A5220, 16 bytes long.
Data: < > 08 85 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000291F69A31F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x00000291F69A4BE0, 16 bytes long.
Data: < > E0 84 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x00000291F69A84E0, 992 bytes long.
Data: < K 1 > E0 4B 9A F6 91 02 00 00 F0 31 9A F6 91 02 00 00
{86} normal block at 0x00000291F69A2FB0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x00000291F69A4DC0, 16 bytes long.
Data: < > 90 12 9A F6 91 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x00000291F69A1290, 40 bytes long.
Data: < M / > C0 4D 9A F6 91 02 00 00 B0 2F 9A F6 91 02 00 00
{61} normal block at 0x00000291F69A4820, 16 bytes long.
Data: < > 80 EA D8 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000291F69A4C80, 16 bytes long.
Data: <@ > 40 E9 D8 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000291F69A4A50, 16 bytes long.
Data: < W > F8 57 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000291F69A46E0, 16 bytes long.
Data: < W > D8 57 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000291F69A4780, 16 bytes long.
Data: <P > 50 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000291F69A5270, 16 bytes long.
Data: <0 > 30 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x00000291F69A4730, 16 bytes long.
Data: < > E0 02 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x00000291F69A4CD0, 16 bytes long.
Data: < > 10 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x00000291F69A4550, 16 bytes long.
Data: <p > 70 04 D5 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x00000291F69A5360, 16 bytes long.
Data: < > 18 C0 D3 A7 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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