Task 38684994
| Name | test_764-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4469_1 |
| Workunit | 31626456 |
| Created | 27 Oct 2026, 18:54:40 UTC |
| Sent | 27 Oct 2026, 18:54:40 UTC |
| Report deadline | 1 Nov 2026, 18:54:40 UTC |
| Received | 27 Oct 2026, 19:40:36 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 518413 |
| Run time | 21 min 40 sec |
| CPU time | 20 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,867.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 715.80 MB |
| Peak swap size | 6.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:18:50 (67224): wrapper (7.9.26016): starting
12:18:50 (67224): 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
12:18:51 (67224): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:18:51 (67224): 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\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:\ProgramData\BOINC\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
12:39:39 (67224): C:/Windows/system32/cmd.exe exited; CPU time 1226.265625
12:39:39 (67224): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 23282705 bytes.
Dumping objects ->
{3835219} normal block at 0x000001AB9E195300, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835208} normal block at 0x000001AB9E1950D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835197} normal block at 0x000001AB9E195140, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835186} normal block at 0x000001AB9E1954C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x000001AB9E195610, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835144} normal block at 0x000001AB9FEA8B70, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835133} normal block at 0x000001AB9E1E0160, 140 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) : {3835130} normal block at 0x000001AB9E18F6D0, 8 bytes long.
Data: < až« > 00 00 61 9E AB 01 00 00
{3834533} normal block at 0x000001AB9E1DEDE0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833951} normal block at 0x000001AB9E18FD10, 8 bytes long.
Data: <P© ž« > 50 A9 1B 9E AB 01 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001AB9E191CE0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001AB9E186DF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000001AB9E196270, 16 bytes long.
Data: <xn ž« > 78 6E 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001AB9E196220, 16 bytes long.
Data: <Pn ž« > 50 6E 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001AB9E1901D0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000001AB9E1969F0, 16 bytes long.
Data: <(n ž« > 28 6E 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001AB9E195BE0, 16 bytes long.
Data: < n ž« > 00 6E 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001AB9E195EB0, 16 bytes long.
Data: <Øm ž« > D8 6D 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001AB9E195B90, 16 bytes long.
Data: <°m ž« > B0 6D 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001AB9E195290, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000001AB9E196540, 16 bytes long.
Data: < ” ž« > 98 94 18 9E AB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001AB9E1900B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000001AB9E196310, 16 bytes long.
Data: <p” ž« > 70 94 18 9E AB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001AB9E1964F0, 16 bytes long.
Data: <H” ž« > 48 94 18 9E AB 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001AB9E195E60, 16 bytes long.
Data: < ” ž« > 20 94 18 9E AB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001AB9E195CD0, 16 bytes long.
Data: <ø“ ž« > F8 93 18 9E AB 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001AB9E196090, 16 bytes long.
Data: <Г ž« > D0 93 18 9E AB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001AB9E1962C0, 16 bytes long.
Data: <¨“ ž« > A8 93 18 9E AB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001AB9E190A10, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000001AB9E1964A0, 16 bytes long.
Data: < “ ž« > 80 93 18 9E AB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001AB9E189380, 320 bytes long.
Data: < d ž« ž« > A0 64 19 9E AB 01 00 00 10 0A 19 9E AB 01 00 00
{271} normal block at 0x000001AB9E195D70, 16 bytes long.
Data: < m ž« > 90 6D 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001AB9E195F00, 16 bytes long.
Data: <hm ž« > 68 6D 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001AB9E190230, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000001AB9E1961D0, 16 bytes long.
Data: <@m ž« > 40 6D 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001AB9E190290, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000001AB9E196AE0, 16 bytes long.
Data: < l ž« > 88 6C 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001AB9E1963B0, 16 bytes long.
Data: <`l ž« > 60 6C 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001AB9E196630, 16 bytes long.
Data: <8l ž« > 38 6C 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001AB9E196130, 16 bytes long.
Data: < l ž« > 10 6C 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001AB9E1960E0, 16 bytes long.
Data: <èk ž« > E8 6B 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001AB9E1969A0, 16 bytes long.
Data: <Àk ž« > C0 6B 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001AB9E196180, 16 bytes long.
Data: < U ž« > A0 55 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001AB9E1955A0, 40 bytes long.
Data: < a ž« p‹êŸ« > 80 61 19 9E AB 01 00 00 70 8B EA 9F AB 01 00 00
{257} normal block at 0x000001AB9E196450, 16 bytes long.
Data: < k ž« > A0 6B 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001AB9E1965E0, 16 bytes long.
Data: <xk ž« > 78 6B 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001AB9E190890, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000001AB9E195DC0, 16 bytes long.
Data: <Pk ž« > 50 6B 19 9E AB 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001AB9E196B50, 992 bytes long.
Data: <À] ž« ž« > C0 5D 19 9E AB 01 00 00 90 08 19 9E AB 01 00 00
{89} normal block at 0x000001AB9E190E90, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000001AB9E18F7C0, 16 bytes long.
Data: <@ç ž« > 40 E7 17 9E AB 01 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000001AB9E17E740, 40 bytes long.
Data: <À÷ ž« ž« > C0 F7 18 9E AB 01 00 00 90 0E 19 9E AB 01 00 00
{66} normal block at 0x000001AB9E18F860, 16 bytes long.
Data: < êY ö > 80 EA 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001AB9E18FA40, 16 bytes long.
Data: <@éY ö > 40 E9 59 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001AB9E18FF40, 16 bytes long.
Data: <øWV ö > F8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001AB9E18F590, 16 bytes long.
Data: <ØWV ö > D8 57 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001AB9E18F090, 16 bytes long.
Data: <P V ö > 50 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001AB9E18F8B0, 16 bytes long.
Data: <0 V ö > 30 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001AB9E18F040, 16 bytes long.
Data: <à V ö > E0 02 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001AB9E18F310, 16 bytes long.
Data: < V ö > 10 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001AB9E18F4A0, 16 bytes long.
Data: <p V ö > 70 04 56 06 F6 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001AB9E18FB30, 16 bytes long.
Data: < ÀT ö > 18 C0 54 06 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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