Task 38683025
| Name | test_797-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND3095_0 |
| Workunit | 31624610 |
| Created | 27 Oct 2026, 10:07:13 UTC |
| Sent | 27 Oct 2026, 10:07:21 UTC |
| Report deadline | 1 Nov 2026, 10:07:21 UTC |
| Received | 27 Oct 2026, 11:34:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 47 min 27 sec |
| CPU time | 47 min 18 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 | 675.96 MB |
| Peak swap size | 6.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
18:42:18 (13596): wrapper (7.9.26016): starting
18:42:18 (13596): 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
18:42:19 (13596): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:42:19 (13596): 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
19:28:52 (13596): C:/Windows/system32/cmd.exe exited; CPU time 2838.703125
19:28:52 (13596): 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: 42216955 bytes.
Dumping objects ->
{3835255} normal block at 0x000001B4C4FCCDD0, 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 0x000001B4C4FCC900, 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 0x000001B4C4FCCE40, 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 0x000001B4C4FCD000, 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 0x000001B4C4FCC970, 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 0x000001B4C8883E10, 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 0x000001B4C4FC82B0, 8 bytes long.
Data: < > 00 00 BF C6 B4 01 00 00
{3834025} normal block at 0x000001B4C4FC8940, 8 bytes long.
Data: < > D0 91 FC C4 B4 01 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001B4C4FC9090, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B4C4FC7780, 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 0x000001B4C4FC8D50, 16 bytes long.
Data: < } > 08 7D FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B4C4FC8B70, 16 bytes long.
Data: < | > E0 7C FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001B4C4FC1AF0, 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 0x000001B4C4FC8D00, 16 bytes long.
Data: < | > B8 7C FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B4C4FC81C0, 16 bytes long.
Data: < | > 90 7C FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B4C4FC8B20, 16 bytes long.
Data: <h| > 68 7C FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B4C4FC80D0, 16 bytes long.
Data: <@| > 40 7C FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B4C4FC0850, 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 0x000001B4C4FC7EA0, 16 bytes long.
Data: < w > 18 77 FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B4C4FC1670, 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 0x000001B4C4FC3A00, 16 bytes long.
Data: < v > F0 76 FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B4C4FC4090, 16 bytes long.
Data: < v > C8 76 FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B4C4FC38C0, 16 bytes long.
Data: < v > A0 76 FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B4C4FC3BE0, 16 bytes long.
Data: <xv > 78 76 FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B4C4FC4040, 16 bytes long.
Data: <Pv > 50 76 FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B4C4FC3870, 16 bytes long.
Data: <(v > 28 76 FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B4C4FC19D0, 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 0x000001B4C4FC3AA0, 16 bytes long.
Data: < v > 00 76 FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B4C4FC7600, 320 bytes long.
Data: < : > A0 3A FC C4 B4 01 00 00 D0 19 FC C4 B4 01 00 00
{268} normal block at 0x000001B4C4FC3B40, 16 bytes long.
Data: < | > 20 7C FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B4C4FC3820, 16 bytes long.
Data: < { > F8 7B FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B4C4FC1730, 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 0x000001B4C4FC35F0, 16 bytes long.
Data: < { > D0 7B FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B4C4FC1FD0, 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 0x000001B4C4FC3D70, 16 bytes long.
Data: < { > 18 7B FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B4C4FC3A50, 16 bytes long.
Data: < z > F0 7A FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B4C4FC39B0, 16 bytes long.
Data: < z > C8 7A FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B4C4FC3B90, 16 bytes long.
Data: < z > A0 7A FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B4C4FC4360, 16 bytes long.
Data: <xz > 78 7A FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B4C4FC4310, 16 bytes long.
Data: <Pz > 50 7A FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001B4C4FC3730, 16 bytes long.
Data: < > A0 09 FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001B4C4FC09A0, 40 bytes long.
Data: <07 > > 30 37 FC C4 B4 01 00 00 10 3E 88 C8 B4 01 00 00
{254} normal block at 0x000001B4C4FC36E0, 16 bytes long.
Data: <0z > 30 7A FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001B4C4FC44F0, 16 bytes long.
Data: < z > 08 7A FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001B4C4FC1550, 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 0x000001B4C4FC3910, 16 bytes long.
Data: < y > E0 79 FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000001B4C4FC79E0, 992 bytes long.
Data: < 9 P > 10 39 FC C4 B4 01 00 00 50 15 FC C4 B4 01 00 00
{86} normal block at 0x000001B4C4FC22D0, 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 0x000001B4C4FC3F50, 16 bytes long.
Data: < > 80 0A FC C4 B4 01 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001B4C4FC0A80, 40 bytes long.
Data: <P? " > 50 3F FC C4 B4 01 00 00 D0 22 FC C4 B4 01 00 00
{61} normal block at 0x000001B4C4FC3FA0, 16 bytes long.
Data: < J > 80 EA 15 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B4C4FC3DC0, 16 bytes long.
Data: <@ J > 40 E9 15 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001B4C4FC40E0, 16 bytes long.
Data: < W J > F8 57 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001B4C4FC3D20, 16 bytes long.
Data: < W J > D8 57 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001B4C4FC3F00, 16 bytes long.
Data: <P J > 50 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001B4C4FC4220, 16 bytes long.
Data: <0 J > 30 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001B4C4FC3CD0, 16 bytes long.
Data: < J > E0 02 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000001B4C4FC41D0, 16 bytes long.
Data: < J > 10 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000001B4C4FC37D0, 16 bytes long.
Data: <p J > 70 04 12 4A F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000001B4C4FC4450, 16 bytes long.
Data: < J > 18 C0 10 4A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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