Task 38688159
| Name | test_755-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND9522_0 |
| Workunit | 31629525 |
| Created | 28 Oct 2026, 12:01:31 UTC |
| Sent | 28 Oct 2026, 12:01:36 UTC |
| Report deadline | 2 Nov 2026, 12:01:36 UTC |
| Received | 28 Oct 2026, 15:15:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637325 |
| Run time | 1 hours 7 min 58 sec |
| CPU time | 1 hours 2 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 4,571.92 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 869.35 MB |
| Peak swap size | 2.21 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
16:09:12 (10332): wrapper (7.9.26016): starting
16:09:12 (10332): 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
16:09:14 (10332): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:09:14 (10332): 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\4\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\4\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
17:15:26 (10332): C:/Windows/system32/cmd.exe exited; CPU time 3737.140625
17:15:26 (10332): 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: 47137173 bytes.
Dumping objects ->
{3835194} normal block at 0x000001CEF59C0840, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x000001CEF59C12C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x000001CEF59C0920, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835161} normal block at 0x000001CEF59C1560, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x000001CEF59C1100, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835119} normal block at 0x000001CEF5A6BB20, 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) : {3835106} normal block at 0x000001CEF3F05580, 8 bytes long.
Data: < õÎ > 00 00 88 F5 CE 01 00 00
{3833949} normal block at 0x000001CEF3F05F30, 8 bytes long.
Data: <°h¬õÎ > B0 68 AC F5 CE 01 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001CEF3F10C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001CEF3EF5CF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x000001CEF3F124E0, 16 bytes long.
Data: <(/ñóÎ > 28 2F F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001CEF3F12710, 16 bytes long.
Data: < /ñóÎ > 00 2F F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001CEF3F0C540, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x000001CEF3F123F0, 16 bytes long.
Data: <Ø.ñóÎ > D8 2E F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001CEF3F126C0, 16 bytes long.
Data: <°.ñóÎ > B0 2E F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001CEF3F12350, 16 bytes long.
Data: < .ñóÎ > 88 2E F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001CEF3F12620, 16 bytes long.
Data: <`.ñóÎ > 60 2E F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001CEF3F0A730, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x000001CEF3F120D0, 16 bytes long.
Data: < \ïóÎ > 88 5C EF F3 CE 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001CEF3F0C5A0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x000001CEF3F127B0, 16 bytes long.
Data: <`\ïóÎ > 60 5C EF F3 CE 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001CEF3F11FE0, 16 bytes long.
Data: <8\ïóÎ > 38 5C EF F3 CE 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001CEF3F11F40, 16 bytes long.
Data: < \ïóÎ > 10 5C EF F3 CE 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001CEF3F11F90, 16 bytes long.
Data: <è[ïóÎ > E8 5B EF F3 CE 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001CEF3F11DB0, 16 bytes long.
Data: <À[ïóÎ > C0 5B EF F3 CE 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001CEF3F11D60, 16 bytes long.
Data: < [ïóÎ > 98 5B EF F3 CE 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001CEF3F0BD00, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x000001CEF3F11E50, 16 bytes long.
Data: <p[ïóÎ > 70 5B EF F3 CE 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001CEF3EF5B70, 320 bytes long.
Data: <P ñóÎ ½ðóÎ > 50 1E F1 F3 CE 01 00 00 00 BD F0 F3 CE 01 00 00
{270} normal block at 0x000001CEF3F11E00, 16 bytes long.
Data: <@.ñóÎ > 40 2E F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001CEF3F12300, 16 bytes long.
Data: < .ñóÎ > 18 2E F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001CEF3F0BE20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x000001CEF3F11D10, 16 bytes long.
Data: <ð-ñóÎ > F0 2D F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001CEF3F0C480, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x000001CEF3F122B0, 16 bytes long.
Data: <8-ñóÎ > 38 2D F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001CEF3F121C0, 16 bytes long.
Data: < -ñóÎ > 10 2D F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001CEF3F123A0, 16 bytes long.
Data: <è,ñóÎ > E8 2C F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001CEF3F11CC0, 16 bytes long.
Data: <À,ñóÎ > C0 2C F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001CEF3F11EA0, 16 bytes long.
Data: < ,ñóÎ > 98 2C F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001CEF3F11C20, 16 bytes long.
Data: <p,ñóÎ > 70 2C F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001CEF3F128F0, 16 bytes long.
Data: <P¦ðóÎ > 50 A6 F0 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001CEF3F0A650, 40 bytes long.
Data: <ð(ñóÎ »¦õÎ > F0 28 F1 F3 CE 01 00 00 20 BB A6 F5 CE 01 00 00
{256} normal block at 0x000001CEF3F12440, 16 bytes long.
Data: <P,ñóÎ > 50 2C F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000001CEF3F12260, 16 bytes long.
Data: <(,ñóÎ > 28 2C F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001CEF3F0BCA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x000001CEF3F11A90, 16 bytes long.
Data: < ,ñóÎ > 00 2C F1 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000001CEF3F12C00, 992 bytes long.
Data: < ñóÎ  ¼ðóÎ > 90 1A F1 F3 CE 01 00 00 A0 BC F0 F3 CE 01 00 00
{88} normal block at 0x000001CEF3F0C240, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x000001CEF3F06070, 16 bytes long.
Data: <p¥ðóÎ > 70 A5 F0 F3 CE 01 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x000001CEF3F0A570, 40 bytes long.
Data: <p`ðóÎ @ÂðóÎ > 70 60 F0 F3 CE 01 00 00 40 C2 F0 F3 CE 01 00 00
{65} normal block at 0x000001CEF3F05D50, 16 bytes long.
Data: < êÀj÷ > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001CEF3F05C60, 16 bytes long.
Data: <@éÀj÷ > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001CEF3F05800, 16 bytes long.
Data: <øW½j÷ > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001CEF3F055D0, 16 bytes long.
Data: <ØW½j÷ > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001CEF3F05C10, 16 bytes long.
Data: <P ½j÷ > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001CEF3F05760, 16 bytes long.
Data: <0 ½j÷ > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001CEF3F05530, 16 bytes long.
Data: <à ½j÷ > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001CEF3F05670, 16 bytes long.
Data: < ½j÷ > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001CEF3F05710, 16 bytes long.
Data: <p ½j÷ > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001CEF3F061B0, 16 bytes long.
Data: < À»j÷ > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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