Task 38688122
| Name | test_141-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3776_0 |
| Workunit | 31629491 |
| Created | 28 Oct 2026, 11:50:04 UTC |
| Sent | 28 Oct 2026, 11:50:14 UTC |
| Report deadline | 2 Nov 2026, 11:50:14 UTC |
| Received | 28 Oct 2026, 14:05:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 650754 |
| Run time | 56 min 41 sec |
| CPU time | 56 min 35 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,332.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.92 MB |
| Peak swap size | 9.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
12:58:53 (728): wrapper (7.9.26016): starting
12:58:53 (728): 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
12:58:54 (728): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:58:54 (728): 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:\BOINCdata\slots\1\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:\BOINCdata\slots\1\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
13:54:57 (728): C:/Windows/system32/cmd.exe exited; CPU time 3395.156250
13:54:57 (728): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 40138051 bytes.
Dumping objects ->
{3835233} normal block at 0x000001C892815990, 48 bytes long.
Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835222} normal block at 0x000001C894524630, 32 bytes long.
Data: <HOME=C:\BOINCdat> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835211} normal block at 0x000001C8945240F0, 32 bytes long.
Data: <TMP=C:\BOINCdata> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 61
{3835200} normal block at 0x000001C894524690, 32 bytes long.
Data: <TEMP=C:\BOINCdat> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835189} normal block at 0x000001C894523E50, 32 bytes long.
Data: <TMPDIR=C:\BOINCd> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 64
{3835158} normal block at 0x000001C892816720, 48 bytes long.
Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74
{3835147} normal block at 0x000001C8927E9570, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835144} normal block at 0x000001C8927E6760, 8 bytes long.
Data: < v’È > 00 00 76 92 C8 01 00 00
{3834547} normal block at 0x000001C8927E9460, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001C8927E68A0, 8 bytes long.
Data: < UZ”È > 00 55 5A 94 C8 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001C8927F13E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C8927D5BC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001C8927F2AB0, 16 bytes long.
Data: <X7 ’È > 58 37 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C8927F2FB0, 16 bytes long.
Data: <07 ’È > 30 37 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001C8927ED730, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001C8927F2F60, 16 bytes long.
Data: < 7 ’È > 08 37 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001C8927F3280, 16 bytes long.
Data: <à6 ’È > E0 36 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001C8927F2560, 16 bytes long.
Data: <¸6 ’È > B8 36 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C8927F2880, 16 bytes long.
Data: < 6 ’È > 90 36 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C8927EE6F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001C8927F2F10, 16 bytes long.
Data: <X[}’È > 58 5B 7D 92 C8 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C8927ED670, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001C8927F27E0, 16 bytes long.
Data: <0[}’È > 30 5B 7D 92 C8 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001C8927F2C40, 16 bytes long.
Data: < [}’È > 08 5B 7D 92 C8 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C8927F30A0, 16 bytes long.
Data: <àZ}’È > E0 5A 7D 92 C8 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001C8927F2830, 16 bytes long.
Data: <¸Z}’È > B8 5A 7D 92 C8 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C8927F2E20, 16 bytes long.
Data: < Z}’È > 90 5A 7D 92 C8 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C8927F2740, 16 bytes long.
Data: <hZ}’È > 68 5A 7D 92 C8 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001C8927EE270, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001C8927F2EC0, 16 bytes long.
Data: <@Z}’È > 40 5A 7D 92 C8 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001C8927D5A40, 320 bytes long.
Data: <À. ’È pâ~’È > C0 2E 7F 92 C8 01 00 00 70 E2 7E 92 C8 01 00 00
{269} normal block at 0x000001C8927F2CE0, 16 bytes long.
Data: <p6 ’È > 70 36 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C8927F2470, 16 bytes long.
Data: <H6 ’È > 48 36 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C8927ED4F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001C8927F3190, 16 bytes long.
Data: < 6 ’È > 20 36 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C8927ED430, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001C8927F2DD0, 16 bytes long.
Data: <h5 ’È > 68 35 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C8927F2510, 16 bytes long.
Data: <@5 ’È > 40 35 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C8927F32D0, 16 bytes long.
Data: < 5 ’È > 18 35 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001C8927F3140, 16 bytes long.
Data: <ð4 ’È > F0 34 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C8927F2790, 16 bytes long.
Data: <È4 ’È > C8 34 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C8927F2A60, 16 bytes long.
Data: < 4 ’È > A0 34 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C8927F2A10, 16 bytes long.
Data: <àê~’È > E0 EA 7E 92 C8 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001C8927EEAE0, 40 bytes long.
Data: < * ’È g ’È > 10 2A 7F 92 C8 01 00 00 20 67 81 92 C8 01 00 00
{255} normal block at 0x000001C8927F26F0, 16 bytes long.
Data: < 4 ’È > 80 34 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001C8927F2920, 16 bytes long.
Data: <X4 ’È > 58 34 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001C8927EE150, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001C8927F2D80, 16 bytes long.
Data: <04 ’È > 30 34 7F 92 C8 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001C8927F3430, 992 bytes long.
Data: < - ’È Pá~’È > 80 2D 7F 92 C8 01 00 00 50 E1 7E 92 C8 01 00 00
{87} normal block at 0x000001C8927ED490, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001C8927E6DA0, 16 bytes long.
Data: < æ~’È > 10 E6 7E 92 C8 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001C8927EE610, 40 bytes long.
Data: < m~’È Ô~’È > A0 6D 7E 92 C8 01 00 00 90 D4 7E 92 C8 01 00 00
{64} normal block at 0x000001C8927E6E90, 16 bytes long.
Data: < ê#‡÷ > 80 EA 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C8927E6DF0, 16 bytes long.
Data: <@é#‡÷ > 40 E9 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C8927E7020, 16 bytes long.
Data: <øW ‡÷ > F8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C8927E6D50, 16 bytes long.
Data: <ØW ‡÷ > D8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001C8927E6D00, 16 bytes long.
Data: <P ‡÷ > 50 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001C8927E6CB0, 16 bytes long.
Data: <0 ‡÷ > 30 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001C8927E7200, 16 bytes long.
Data: <à ‡÷ > E0 02 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001C8927E6BC0, 16 bytes long.
Data: < ‡÷ > 10 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001C8927E7070, 16 bytes long.
Data: <p ‡÷ > 70 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001C8927E6350, 16 bytes long.
Data: < À ‡÷ > 18 C0 1E 87 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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