Task 38676563
| Name | test_744-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND0042_0 |
| Workunit | 31618467 |
| Created | 26 Oct 2026, 11:41:26 UTC |
| Sent | 26 Oct 2026, 11:41:28 UTC |
| Report deadline | 31 Oct 2026, 11:41:28 UTC |
| Received | 26 Oct 2026, 12:50:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648105 |
| Run time | 43 min 31 sec |
| CPU time | 39 min 45 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,806.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 666.01 MB |
| Peak swap size | 2.96 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
08:05:25 (42484): wrapper (7.9.26016): starting
08:05:25 (42484): 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
08:05:50 (42484): Library/usr/bin/tar.exe exited; CPU time 0.171875
08:05:50 (42484): 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
08:50:02 (42484): C:/Windows/system32/cmd.exe exited; CPU time 2385.468750
08:50:02 (42484): 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: 62902859 bytes.
Dumping objects ->
{3835277} normal block at 0x0000023ADD83CE00, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835266} normal block at 0x0000023ADD83D500, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835255} normal block at 0x0000023ADD83D110, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835244} normal block at 0x0000023ADD83D570, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x0000023ADD83CA10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835202} normal block at 0x0000023ADF4ACE00, 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) : {3835189} normal block at 0x0000023ADD80CA80, 8 bytes long.
Data: < ~Ý: > 00 00 7E DD 3A 02 00 00
{3833987} normal block at 0x0000023ADD80C940, 8 bytes long.
Data: <P65ß: > 50 36 35 DF 3A 02 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x0000023ADD813430, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x0000023ADD806FE0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{309} normal block at 0x0000023ADD818D90, 16 bytes long.
Data: <(• Ý: > 28 95 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x0000023ADD818C50, 16 bytes long.
Data: < • Ý: > 00 95 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x0000023ADD811DA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{306} normal block at 0x0000023ADD818110, 16 bytes long.
Data: <Ø” Ý: > D8 94 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000023ADD818C00, 16 bytes long.
Data: <°” Ý: > B0 94 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x0000023ADD818B60, 16 bytes long.
Data: < ” Ý: > 88 94 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000023ADD818430, 16 bytes long.
Data: <`” Ý: > 60 94 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000023ADD814C80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{301} normal block at 0x0000023ADD818610, 16 bytes long.
Data: <ر Ý: > D8 B1 80 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000023ADD811020, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{299} normal block at 0x0000023ADD818020, 16 bytes long.
Data: <°± Ý: > B0 B1 80 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000023ADD8186B0, 16 bytes long.
Data: < ± Ý: > 88 B1 80 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000023ADD818750, 16 bytes long.
Data: <`± Ý: > 60 B1 80 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000023ADD818660, 16 bytes long.
Data: <8± Ý: > 38 B1 80 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000023ADD818840, 16 bytes long.
Data: < ± Ý: > 10 B1 80 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000023ADD818CA0, 16 bytes long.
Data: <è° Ý: > E8 B0 80 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000023ADD811CE0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{291} normal block at 0x0000023ADD8188E0, 16 bytes long.
Data: <À° Ý: > C0 B0 80 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000023ADD80B0C0, 320 bytes long.
Data: <à Ý: à Ý: > E0 88 81 DD 3A 02 00 00 E0 1C 81 DD 3A 02 00 00
{289} normal block at 0x0000023ADD818A70, 16 bytes long.
Data: <@” Ý: > 40 94 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000023ADD818250, 16 bytes long.
Data: < ” Ý: > 18 94 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000023ADD8111A0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{286} normal block at 0x0000023ADD8183E0, 16 bytes long.
Data: <ð“ Ý: > F0 93 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000023ADD811C80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{284} normal block at 0x0000023ADD818B10, 16 bytes long.
Data: <8“ Ý: > 38 93 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000023ADD8182F0, 16 bytes long.
Data: < “ Ý: > 10 93 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000023ADD8185C0, 16 bytes long.
Data: <è’ Ý: > E8 92 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000023ADD818570, 16 bytes long.
Data: <À’ Ý: > C0 92 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000023ADD8181B0, 16 bytes long.
Data: < ’ Ý: > 98 92 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000023ADD8187A0, 16 bytes long.
Data: <p’ Ý: > 70 92 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000023ADD818700, 16 bytes long.
Data: <°G Ý: > B0 47 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000023ADD8147B0, 40 bytes long.
Data: < ‡ Ý: ÎJß: > 00 87 81 DD 3A 02 00 00 00 CE 4A DF 3A 02 00 00
{275} normal block at 0x0000023ADD818980, 16 bytes long.
Data: <P’ Ý: > 50 92 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000023ADD8184D0, 16 bytes long.
Data: <(’ Ý: > 28 92 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000023ADD8113E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{272} normal block at 0x0000023ADD817FD0, 16 bytes long.
Data: < ’ Ý: > 00 92 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000023ADD819200, 992 bytes long.
Data: <Ð Ý: à Ý: > D0 7F 81 DD 3A 02 00 00 E0 13 81 DD 3A 02 00 00
{107} normal block at 0x0000023ADD811320, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{106} normal block at 0x0000023ADD80C440, 16 bytes long.
Data: < K Ý: > A0 4B 81 DD 3A 02 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x0000023ADD814BA0, 40 bytes long.
Data: <@Ä Ý: Ý: > 40 C4 80 DD 3A 02 00 00 20 13 81 DD 3A 02 00 00
{84} normal block at 0x0000023ADD80C3F0, 16 bytes long.
Data: < 겿ö > 80 EA B2 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x0000023ADD80CBC0, 16 bytes long.
Data: <@鲿ö > 40 E9 B2 BF F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x0000023ADD80CF80, 16 bytes long.
Data: <øW¯¿ö > F8 57 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x0000023ADD80CAD0, 16 bytes long.
Data: <ØW¯¿ö > D8 57 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x0000023ADD80D0C0, 16 bytes long.
Data: <P ¯¿ö > 50 04 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x0000023ADD80D340, 16 bytes long.
Data: <0 ¯¿ö > 30 04 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000023ADD80C620, 16 bytes long.
Data: <à ¯¿ö > E0 02 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000023ADD80CEE0, 16 bytes long.
Data: < ¯¿ö > 10 04 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000023ADD80C800, 16 bytes long.
Data: <p ¯¿ö > 70 04 AF BF F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000023ADD80CE90, 16 bytes long.
Data: < À­¿ö > 18 C0 AD BF F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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