Task 38672324
| Name | test_907-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND1048_0 |
| Workunit | 31614478 |
| Created | 25 Oct 2026, 23:05:15 UTC |
| Sent | 25 Oct 2026, 23:05:19 UTC |
| Report deadline | 30 Oct 2026, 23:05:19 UTC |
| Received | 26 Oct 2026, 0:50:52 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648022 |
| Run time | 25 min 5 sec |
| CPU time | 22 min 9 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 18,986.54 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 805.33 MB |
| Peak swap size | 10.01 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:20:47 (25596): wrapper (7.9.26016): starting
02:20:47 (25596): 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
02:20:48 (25596): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:20:48 (25596): 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
02:44:59 (25596): C:/Windows/system32/cmd.exe exited; CPU time 1329.625000
02:44:59 (25596): 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: 36055577 bytes.
Dumping objects ->
{3835491} normal block at 0x00000186F9054550, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835480} normal block at 0x00000186F9054780, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835469} normal block at 0x00000186F9054BE0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835458} normal block at 0x00000186F7134D20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835447} normal block at 0x00000186F7135340, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835416} normal block at 0x00000186F8FFBC10, 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) : {3835403} normal block at 0x00000186F712D9F0, 8 bytes long.
Data: < o֠ > 00 00 6F F7 86 01 00 00
{3833963} normal block at 0x00000186F712E260, 8 bytes long.
Data: < F ֠ > 90 46 13 F7 86 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000186F7131480, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000186F7126C50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x00000186F7136200, 16 bytes long.
Data: <8k ֠ > 38 6B 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000186F7135D00, 16 bytes long.
Data: < k ֠ > 10 6B 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000186F712F3F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x00000186F71358A0, 16 bytes long.
Data: <èj ÷† > E8 6A 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000186F7135F30, 16 bytes long.
Data: <Àj ÷† > C0 6A 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000186F7136750, 16 bytes long.
Data: < j ֠ > 98 6A 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000186F7136160, 16 bytes long.
Data: <pj ֠ > 70 6A 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000186F7134D90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x00000186F7136700, 16 bytes long.
Data: <(ë ÷† > 28 EB 11 F7 86 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000186F712FF30, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x00000186F7135EE0, 16 bytes long.
Data: < ë ÷† > 00 EB 11 F7 86 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000186F71358F0, 16 bytes long.
Data: <Øê ÷† > D8 EA 11 F7 86 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000186F7135940, 16 bytes long.
Data: <°ê ÷† > B0 EA 11 F7 86 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000186F7135C60, 16 bytes long.
Data: < ê ÷† > 88 EA 11 F7 86 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000186F7136570, 16 bytes long.
Data: <`ê ÷† > 60 EA 11 F7 86 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000186F7135B20, 16 bytes long.
Data: <8ê ÷† > 38 EA 11 F7 86 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000186F712F7B0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x00000186F71365C0, 16 bytes long.
Data: < ê ÷† > 10 EA 11 F7 86 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000186F711EA10, 320 bytes long.
Data: <Àe ÷† °÷ ÷† > C0 65 13 F7 86 01 00 00 B0 F7 12 F7 86 01 00 00
{277} normal block at 0x00000186F7135B70, 16 bytes long.
Data: <Pj ֠ > 50 6A 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000186F7135E90, 16 bytes long.
Data: <(j ֠ > 28 6A 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000186F712FBD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x00000186F71362F0, 16 bytes long.
Data: < j ֠ > 00 6A 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000186F712FFF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x00000186F7136610, 16 bytes long.
Data: <Hi ֠ > 48 69 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000186F71359E0, 16 bytes long.
Data: < i ֠ > 20 69 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000186F7136430, 16 bytes long.
Data: <øh ÷† > F8 68 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000186F7135F80, 16 bytes long.
Data: <Ðh ÷† > D0 68 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000186F7135850, 16 bytes long.
Data: <¨h ÷† > A8 68 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000186F7135AD0, 16 bytes long.
Data: < h ֠ > 80 68 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000186F7135E40, 16 bytes long.
Data: <`R ֠ > 60 52 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000186F7135260, 40 bytes long.
Data: <@^ ÷† ¼ÿø† > 40 5E 13 F7 86 01 00 00 10 BC FF F8 86 01 00 00
{263} normal block at 0x00000186F7136660, 16 bytes long.
Data: <`h ֠ > 60 68 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000186F71366B0, 16 bytes long.
Data: <8h ֠ > 38 68 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000186F712F750, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x00000186F7136110, 16 bytes long.
Data: < h ֠ > 10 68 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000186F7136810, 992 bytes long.
Data: < a ÷† P÷ ÷† > 10 61 13 F7 86 01 00 00 50 F7 12 F7 86 01 00 00
{95} normal block at 0x00000186F712FCF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x00000186F712D9A0, 16 bytes long.
Data: <0P ֠ > 30 50 13 F7 86 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x00000186F7135030, 40 bytes long.
Data: < Ù ÷† ðü ÷† > A0 D9 12 F7 86 01 00 00 F0 FC 12 F7 86 01 00 00
{72} normal block at 0x00000186F712DC70, 16 bytes long.
Data: < êùPö > 80 EA F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000186F712E2B0, 16 bytes long.
Data: <@éùPö > 40 E9 F9 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000186F712E300, 16 bytes long.
Data: <øWöPö > F8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000186F712DA40, 16 bytes long.
Data: <ØWöPö > D8 57 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000186F712DCC0, 16 bytes long.
Data: <P öPö > 50 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000186F712D900, 16 bytes long.
Data: <0 öPö > 30 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000186F712D8B0, 16 bytes long.
Data: <à öPö > E0 02 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000186F712D950, 16 bytes long.
Data: < öPö > 10 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000186F712DE00, 16 bytes long.
Data: <p öPö > 70 04 F6 50 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000186F712D400, 16 bytes long.
Data: < ÀôPö > 18 C0 F4 50 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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