Task 38670529
| Name | test_484-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND3527_0 |
| Workunit | 31612775 |
| Created | 25 Oct 2026, 17:50:57 UTC |
| Sent | 25 Oct 2026, 17:51:11 UTC |
| Report deadline | 30 Oct 2026, 17:51:11 UTC |
| Received | 25 Oct 2026, 18:41:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648105 |
| Run time | 41 min 31 sec |
| CPU time | 40 min 1 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 | 654.96 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>
13:56:41 (28152): wrapper (7.9.26016): starting
13:56:41 (28152): 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
13:57:10 (28152): Library/usr/bin/tar.exe exited; CPU time 0.281250
13:57:10 (28152): 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
14:41:30 (28152): C:/Windows/system32/cmd.exe exited; CPU time 2401.375000
14:41:30 (28152): 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: 64467447 bytes.
Dumping objects ->
{3835277} normal block at 0x000002311DA4F4E0, 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 0x000002311DA4E750, 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 0x000002311DA4E6E0, 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 0x000002311DA4F0F0, 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 0x000002311DA4EF30, 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 0x000002311DA516E0, 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 0x000002311DA1EDD0, 8 bytes long.
Data: < > 1 > 00 00 3E 1F 31 02 00 00
{3833987} normal block at 0x000002311DA1F230, 8 bytes long.
Data: <P T 1 > 50 7F 54 1F 31 02 00 00
..\zip\boinc_zip.cpp(122) : {325} normal block at 0x000002311DA24FD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{310} normal block at 0x000002311DA1B830, 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 0x000002311DA2B2A0, 16 bytes long.
Data: < ¹¢ 1 > 08 B9 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000002311DA2A990, 16 bytes long.
Data: <ย 1 > E0 B8 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{307} normal block at 0x000002311DA26FB0, 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 0x000002311DA2B390, 16 bytes long.
Data: <¸¸¢ 1 > B8 B8 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000002311DA2ACB0, 16 bytes long.
Data: < ¸¢ 1 > 90 B8 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002311DA2B200, 16 bytes long.
Data: <h¸¢ 1 > 68 B8 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000002311DA2A9E0, 16 bytes long.
Data: <@¸¢ 1 > 40 B8 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002311DA23AB0, 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 0x000002311DA2AE40, 16 bytes long.
Data: <X ¡ 1 > 58 20 A1 1D 31 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002311DA26D70, 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 0x000002311DA2ADA0, 16 bytes long.
Data: <0 ¡ 1 > 30 20 A1 1D 31 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002311DA2AAD0, 16 bytes long.
Data: < ¡ 1 > 08 20 A1 1D 31 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002311DA2B1B0, 16 bytes long.
Data: <à ¡ 1 > E0 1F A1 1D 31 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002311DA2B250, 16 bytes long.
Data: <¸ ¡ 1 > B8 1F A1 1D 31 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002311DA2AA30, 16 bytes long.
Data: < ¡ 1 > 90 1F A1 1D 31 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002311DA2B020, 16 bytes long.
Data: <h ¡ 1 > 68 1F A1 1D 31 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002311DA27970, 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 0x000002311DA2B160, 16 bytes long.
Data: <@ ¡ 1 > 40 1F A1 1D 31 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002311DA11F40, 320 bytes long.
Data: <`±¢ 1 py¢ 1 > 60 B1 A2 1D 31 02 00 00 70 79 A2 1D 31 02 00 00
{289} normal block at 0x000002311DA2ABC0, 16 bytes long.
Data: < ¸¢ 1 > 20 B8 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002311DA2AD50, 16 bytes long.
Data: <ø·¢ 1 > F8 B7 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002311DA273D0, 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 0x000002311DA2AFD0, 16 bytes long.
Data: <з¢ 1 > D0 B7 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002311DA277F0, 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 0x000002311DA2B110, 16 bytes long.
Data: < ·¢ 1 > 18 B7 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002311DA2A8A0, 16 bytes long.
Data: <𶢠1 > F0 B6 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002311DA2A760, 16 bytes long.
Data: <馢 1 > C8 B6 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002311DA2AB70, 16 bytes long.
Data: < ¶¢ 1 > A0 B6 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002311DA2A940, 16 bytes long.
Data: <x¶¢ 1 > 78 B6 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002311DA2A800, 16 bytes long.
Data: <P¶¢ 1 > 50 B6 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002311DA2AF80, 16 bytes long.
Data: < ;¢ 1 > 90 3B A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002311DA23B90, 40 bytes long.
Data: < ¯¢ 1 à ¥ 1 > 80 AF A2 1D 31 02 00 00 E0 16 A5 1D 31 02 00 00
{275} normal block at 0x000002311DA2B520, 16 bytes long.
Data: <0¶¢ 1 > 30 B6 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002311DA2A7B0, 16 bytes long.
Data: < ¶¢ 1 > 08 B6 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002311DA272B0, 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 0x000002311DA2B430, 16 bytes long.
Data: <ൢ 1 > E0 B5 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002311DA2B5E0, 992 bytes long.
Data: <0´¢ 1 °r¢ 1 > 30 B4 A2 1D 31 02 00 00 B0 72 A2 1D 31 02 00 00
{107} normal block at 0x000002311DA270D0, 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 0x000002311DA1F370, 16 bytes long.
Data: < 7¢ 1 > A0 37 A2 1D 31 02 00 00 00 00 00 00 00 00 00 00
{105} normal block at 0x000002311DA237A0, 40 bytes long.
Data: <pó¡ 1 Ðp¢ 1 > 70 F3 A1 1D 31 02 00 00 D0 70 A2 1D 31 02 00 00
{84} normal block at 0x000002311DA1F4B0, 16 bytes long.
Data: < ê…ìö > 80 EA 85 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000002311DA1EFB0, 16 bytes long.
Data: <@é…ìö > 40 E9 85 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000002311DA1ECE0, 16 bytes long.
Data: <øW‚ìö > F8 57 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000002311DA1EA60, 16 bytes long.
Data: <ØW‚ìö > D8 57 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000002311DA1EB50, 16 bytes long.
Data: <P ‚ìö > 50 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000002311DA1EE20, 16 bytes long.
Data: <0 ‚ìö > 30 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000002311DA1EBF0, 16 bytes long.
Data: <à ‚ìö > E0 02 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002311DA1E970, 16 bytes long.
Data: < ‚ìö > 10 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002311DA1F140, 16 bytes long.
Data: <p ‚ìö > 70 04 82 EC F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002311DA1F0A0, 16 bytes long.
Data: < À ìö > 18 C0 80 EC F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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