Task 38680072
| Name | test_705-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND2737_0 |
| Workunit | 31621817 |
| Created | 26 Oct 2026, 22:43:05 UTC |
| Sent | 26 Oct 2026, 22:43:11 UTC |
| Report deadline | 31 Oct 2026, 22:43:11 UTC |
| Received | 26 Oct 2026, 23:11:24 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 605313 |
| Run time | 24 min 22 sec |
| CPU time | 22 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 11,247.14 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 725.02 MB |
| Peak swap size | 9.79 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
17:52:55 (40472): wrapper (7.9.26016): starting
17:52:55 (40472): 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
17:52:56 (40472): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:52:56 (40472): 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
18:16:26 (40472): C:/Windows/system32/cmd.exe exited; CPU time 1326.390625
18:16:26 (40472): 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: 28458839 bytes.
Dumping objects ->
{3835221} normal block at 0x000002160AA697B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835210} normal block at 0x000002160AA69DD0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835199} normal block at 0x000002160AA6A310, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835188} normal block at 0x000002160AA69B30, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835177} normal block at 0x000002160AA69F20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835146} normal block at 0x000002160C74B4F0, 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) : {3835133} normal block at 0x000002160AA3BA70, 8 bytes long.
Data: < > 00 00 9D 0A 16 02 00 00
{3833975} normal block at 0x000002160AA3AD00, 8 bytes long.
Data: <PY} > 50 59 7D 0C 16 02 00 00
..\zip\boinc_zip.cpp(122) : {319} normal block at 0x000002160AA43110, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000002160AA2FFF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{303} normal block at 0x000002160AA46FA0, 16 bytes long.
Data: <(t¤ > 28 74 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000002160AA467D0, 16 bytes long.
Data: < t¤ > 00 74 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000002160AA3F3E0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{300} normal block at 0x000002160AA466E0, 16 bytes long.
Data: <Øs¤ > D8 73 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002160AA46410, 16 bytes long.
Data: <°s¤ > B0 73 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002160AA46640, 16 bytes long.
Data: < s¤ > 88 73 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002160AA463C0, 16 bytes long.
Data: <`s¤ > 60 73 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002160AA3FDF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{295} normal block at 0x000002160AA46230, 16 bytes long.
Data: <X £ > 58 08 A3 0A 16 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002160AA3F200, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{293} normal block at 0x000002160AA461E0, 16 bytes long.
Data: <0 £ > 30 08 A3 0A 16 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002160AA468C0, 16 bytes long.
Data: < £ > 08 08 A3 0A 16 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002160AA46320, 16 bytes long.
Data: <à £ > E0 07 A3 0A 16 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002160AA46780, 16 bytes long.
Data: <¸ £ > B8 07 A3 0A 16 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002160AA47040, 16 bytes long.
Data: < £ > 90 07 A3 0A 16 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002160AA46690, 16 bytes long.
Data: <h £ > 68 07 A3 0A 16 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002160AA3F980, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{285} normal block at 0x000002160AA46460, 16 bytes long.
Data: <@ £ > 40 07 A3 0A 16 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002160AA30740, 320 bytes long.
Data: <`d¤ ù£ > 60 64 A4 0A 16 02 00 00 80 F9 A3 0A 16 02 00 00
{283} normal block at 0x000002160AA465A0, 16 bytes long.
Data: <@s¤ > 40 73 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002160AA47090, 16 bytes long.
Data: < s¤ > 18 73 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002160AA3F260, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{280} normal block at 0x000002160AA46500, 16 bytes long.
Data: <ðr¤ > F0 72 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002160AA3EB40, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{278} normal block at 0x000002160AA46D20, 16 bytes long.
Data: <8r¤ > 38 72 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002160AA46D70, 16 bytes long.
Data: < r¤ > 10 72 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002160AA46AF0, 16 bytes long.
Data: <èq¤ > E8 71 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002160AA46F50, 16 bytes long.
Data: <Àq¤ > C0 71 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002160AA46190, 16 bytes long.
Data: < q¤ > 98 71 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002160AA46C30, 16 bytes long.
Data: <pq¤ > 70 71 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002160AA46370, 16 bytes long.
Data: <p ¤ > 70 01 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002160AA40170, 40 bytes long.
Data: <pc¤ ð´t > 70 63 A4 0A 16 02 00 00 F0 B4 74 0C 16 02 00 00
{269} normal block at 0x000002160AA46730, 16 bytes long.
Data: <Pq¤ > 50 71 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002160AA464B0, 16 bytes long.
Data: <(q¤ > 28 71 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002160AA3F320, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{266} normal block at 0x000002160AA465F0, 16 bytes long.
Data: < q¤ > 00 71 A4 0A 16 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002160AA47100, 992 bytes long.
Data: <ðe¤ ó£ > F0 65 A4 0A 16 02 00 00 20 F3 A3 0A 16 02 00 00
{101} normal block at 0x000002160AA3F740, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{100} normal block at 0x000002160AA3B070, 16 bytes long.
Data: < ü£ > A0 FC A3 0A 16 02 00 00 00 00 00 00 00 00 00 00
{99} normal block at 0x000002160AA3FCA0, 40 bytes long.
Data: <p°£ @÷£ > 70 B0 A3 0A 16 02 00 00 40 F7 A3 0A 16 02 00 00
{78} normal block at 0x000002160AA3AD50, 16 bytes long.
Data: < ê²ó÷ > 80 EA B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000002160AA3B660, 16 bytes long.
Data: <@é²ó÷ > 40 E9 B2 F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000002160AA3B110, 16 bytes long.
Data: <øW¯ó÷ > F8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000002160AA3B020, 16 bytes long.
Data: <ØW¯ó÷ > D8 57 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000002160AA3B390, 16 bytes long.
Data: <P ¯ó÷ > 50 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000002160AA3AFD0, 16 bytes long.
Data: <0 ¯ó÷ > 30 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002160AA3AF80, 16 bytes long.
Data: <à ¯ó÷ > E0 02 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002160AA3B200, 16 bytes long.
Data: < ¯ó÷ > 10 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002160AA3B7F0, 16 bytes long.
Data: <p ¯ó÷ > 70 04 AF F3 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002160AA3B980, 16 bytes long.
Data: < À­ó÷ > 18 C0 AD F3 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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