Task 38688847
| Name | test_679-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND7289_0 |
| Workunit | 31630153 |
| Created | 28 Oct 2026, 16:30:22 UTC |
| Sent | 28 Oct 2026, 16:30:35 UTC |
| Report deadline | 2 Nov 2026, 16:30:35 UTC |
| Received | 28 Oct 2026, 17:28:01 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 506550 |
| Run time | 25 min 20 sec |
| CPU time | 21 min 27 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 83,070.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.91 MB |
| Peak swap size | 13.15 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:00:57 (8080): wrapper (7.9.26016): starting
10:00:57 (8080): 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
10:00:58 (8080): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:00:58 (8080): 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
10:27:11 (8080): C:/Windows/system32/cmd.exe exited; CPU time 1287.640625
10:27:11 (8080): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 25704343 bytes.
Dumping objects ->
{3835240} normal block at 0x00000235BFDB60E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835229} normal block at 0x00000235BFDB6000, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x00000235BFDB5F20, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835207} normal block at 0x00000235BFDB6150, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835196} normal block at 0x00000235BFDB5C10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835165} normal block at 0x00000235C1B9A4E0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x00000235BFDB3C90, 155 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) : {3835151} normal block at 0x00000235BFDAEA40, 8 bytes long.
Data: < )À5 > 00 00 29 C0 35 02 00 00
{3834548} normal block at 0x00000235BFDB3E50, 155 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833957} normal block at 0x00000235BFDAF300, 8 bytes long.
Data: <0I¿Á5 > 30 49 BF C1 35 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000235BFDB0790, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000235BFD9F3E0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x00000235BFDB6C80, 16 bytes long.
Data: <¸uÛ¿5 > B8 75 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000235BFDB6E60, 16 bytes long.
Data: < uÛ¿5 > 90 75 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000235BFDB05C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x00000235BFDB6320, 16 bytes long.
Data: <huÛ¿5 > 68 75 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000235BFDB6B40, 16 bytes long.
Data: <@uÛ¿5 > 40 75 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000235BFDB66E0, 16 bytes long.
Data: < uÛ¿5 > 18 75 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000235BFDB6690, 16 bytes long.
Data: <ðtÛ¿5 > F0 74 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000235BFDB5C80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x00000235BFDB65F0, 16 bytes long.
Data: <ÈþÙ¿5 > C8 FE D9 BF 35 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000235BFDB00E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x00000235BFDB6A00, 16 bytes long.
Data: < þÙ¿5 > A0 FE D9 BF 35 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000235BFDB7220, 16 bytes long.
Data: <xþÙ¿5 > 78 FE D9 BF 35 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000235BFDB6E10, 16 bytes long.
Data: <PþÙ¿5 > 50 FE D9 BF 35 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000235BFDB6DC0, 16 bytes long.
Data: <(þÙ¿5 > 28 FE D9 BF 35 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000235BFDB6910, 16 bytes long.
Data: < þÙ¿5 > 00 FE D9 BF 35 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000235BFDB6AF0, 16 bytes long.
Data: <ØýÙ¿5 > D8 FD D9 BF 35 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000235BFDB0020, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x00000235BFDB6D70, 16 bytes long.
Data: <°ýÙ¿5 > B0 FD D9 BF 35 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000235BFD9FDB0, 320 bytes long.
Data: <pmÛ¿5 Û¿5 > 70 6D DB BF 35 02 00 00 20 00 DB BF 35 02 00 00
{274} normal block at 0x00000235BFDB71D0, 16 bytes long.
Data: <ÐtÛ¿5 > D0 74 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000235BFDB62D0, 16 bytes long.
Data: <¨tÛ¿5 > A8 74 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000235BFDAFFC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x00000235BFDB65A0, 16 bytes long.
Data: < tÛ¿5 > 80 74 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000235BFDAF960, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x00000235BFDB6640, 16 bytes long.
Data: <ÈsÛ¿5 > C8 73 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000235BFDB6550, 16 bytes long.
Data: < sÛ¿5 > A0 73 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000235BFDB6BE0, 16 bytes long.
Data: <xsÛ¿5 > 78 73 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000235BFDB69B0, 16 bytes long.
Data: <PsÛ¿5 > 50 73 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000235BFDB6AA0, 16 bytes long.
Data: <(sÛ¿5 > 28 73 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000235BFDB6A50, 16 bytes long.
Data: < sÛ¿5 > 00 73 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000235BFDB7180, 16 bytes long.
Data: < [Û¿5 > A0 5B DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000235BFDB5BA0, 40 bytes long.
Data: < qÛ¿5 हÁ5 > 80 71 DB BF 35 02 00 00 E0 A4 B9 C1 35 02 00 00
{260} normal block at 0x00000235BFDB7130, 16 bytes long.
Data: <àrÛ¿5 > E0 72 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000235BFDB6960, 16 bytes long.
Data: <¸rÛ¿5 > B8 72 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000235BFDB0260, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x00000235BFDB6B90, 16 bytes long.
Data: < rÛ¿5 > 90 72 DB BF 35 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x00000235BFDB7290, 992 bytes long.
Data: < kÛ¿5 ` Û¿5 > 90 6B DB BF 35 02 00 00 60 02 DB BF 35 02 00 00
{92} normal block at 0x00000235BFDAFDE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x00000235BFDAF3F0, 16 bytes long.
Data: < äÙ¿5 > 80 E4 D9 BF 35 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x00000235BFD9E480, 40 bytes long.
Data: <ðóÚ¿5 àýÚ¿5 > F0 F3 DA BF 35 02 00 00 E0 FD DA BF 35 02 00 00
{69} normal block at 0x00000235BFDAEE00, 16 bytes long.
Data: < ê}{ö > 80 EA 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000235BFDAF260, 16 bytes long.
Data: <@é}{ö > 40 E9 7D 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000235BFDAEC70, 16 bytes long.
Data: <øWz{ö > F8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000235BFDAEC20, 16 bytes long.
Data: <ØWz{ö > D8 57 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000235BFDAE770, 16 bytes long.
Data: <P z{ö > 50 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000235BFDAF1C0, 16 bytes long.
Data: <0 z{ö > 30 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000235BFDAEBD0, 16 bytes long.
Data: <à z{ö > E0 02 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000235BFDAEB80, 16 bytes long.
Data: < z{ö > 10 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000235BFDAF3A0, 16 bytes long.
Data: <p z{ö > 70 04 7A 7B F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000235BFDAE900, 16 bytes long.
Data: < Àx{ö > 18 C0 78 7B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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