Task 38694930
| Name | test_732-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND6387_0 |
| Workunit | 31635658 |
| Created | 31 Oct 2026, 4:08:39 UTC |
| Sent | 31 Oct 2026, 4:08:43 UTC |
| Report deadline | 5 Nov 2026, 4:08:43 UTC |
| Received | 31 Oct 2026, 6:48:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654967 |
| Run time | 53 min 8 sec |
| CPU time | 52 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,332.26 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 684.07 MB |
| Peak swap size | 6.82 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
05:54:03 (5500): wrapper (7.9.26016): starting
05:54:03 (5500): 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
05:54:04 (5500): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:54:04 (5500): 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 'D:\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 'D:\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
06:46:35 (5500): C:/Windows/system32/cmd.exe exited; CPU time 3154.312500
06:46:35 (5500): called boinc_finish(0)
0 bytes in 0 Free Blocks.
656 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: 37018531 bytes.
Dumping objects ->
{3835313} normal block at 0x000001E9A30A2B50, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835302} normal block at 0x000001E9A30A34F0, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835291} normal block at 0x000001E9A30A2DF0, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835280} normal block at 0x000001E9A152ACE0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835269} normal block at 0x000001E9A152AC70, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835238} normal block at 0x000001E9A311AFA0, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835227} normal block at 0x000001E9A15285F0, 200 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) : {3835224} normal block at 0x000001E9A1526110, 8 bytes long.
Data: < ð¢é > 00 00 F0 A2 E9 01 00 00
{3834581} normal block at 0x000001E9A15281B0, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833947} normal block at 0x000001E9A1526390, 8 bytes long.
Data: <PR £é > 50 52 0A A3 E9 01 00 00
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001E9A1530AA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E9A1515C50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{289} normal block at 0x000001E9A1532A30, 16 bytes long.
Data: < 2S¡é > 18 32 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E9A1531FE0, 16 bytes long.
Data: <ð1S¡é > F0 31 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E9A152CE20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{286} normal block at 0x000001E9A15324E0, 16 bytes long.
Data: <È1S¡é > C8 31 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E9A1531D10, 16 bytes long.
Data: < 1S¡é > A0 31 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001E9A1532440, 16 bytes long.
Data: <x1S¡é > 78 31 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001E9A1531BD0, 16 bytes long.
Data: <P1S¡é > 50 31 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E9A152AF80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{281} normal block at 0x000001E9A1531DB0, 16 bytes long.
Data: <è[Q¡é > E8 5B 51 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E9A152C520, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{279} normal block at 0x000001E9A15329E0, 16 bytes long.
Data: <À[Q¡é > C0 5B 51 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E9A1532990, 16 bytes long.
Data: < [Q¡é > 98 5B 51 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001E9A15325D0, 16 bytes long.
Data: <p[Q¡é > 70 5B 51 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E9A15323A0, 16 bytes long.
Data: <H[Q¡é > 48 5B 51 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001E9A1532620, 16 bytes long.
Data: < [Q¡é > 20 5B 51 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E9A1532260, 16 bytes long.
Data: <øZQ¡é > F8 5A 51 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E9A152C3A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{271} normal block at 0x000001E9A1532080, 16 bytes long.
Data: <ÐZQ¡é > D0 5A 51 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E9A1515AD0, 320 bytes long.
Data: < S¡é  ÃR¡é > 80 20 53 A1 E9 01 00 00 A0 C3 52 A1 E9 01 00 00
{269} normal block at 0x000001E9A15322B0, 16 bytes long.
Data: <01S¡é > 30 31 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E9A15326C0, 16 bytes long.
Data: < 1S¡é > 08 31 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E9A152CDC0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{266} normal block at 0x000001E9A1532350, 16 bytes long.
Data: <à0S¡é > E0 30 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E9A152C1C0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{264} normal block at 0x000001E9A15328F0, 16 bytes long.
Data: <(0S¡é > 28 30 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001E9A15328A0, 16 bytes long.
Data: < 0S¡é > 00 30 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E9A15321C0, 16 bytes long.
Data: <Ø/S¡é > D8 2F 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E9A15327B0, 16 bytes long.
Data: <°/S¡é > B0 2F 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001E9A1531F40, 16 bytes long.
Data: < /S¡é > 88 2F 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E9A1532170, 16 bytes long.
Data: <`/S¡é > 60 2F 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001E9A1531C70, 16 bytes long.
Data: <ð¯R¡é > F0 AF 52 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E9A152AFF0, 40 bytes long.
Data: <p S¡é  ¯ £é > 70 1C 53 A1 E9 01 00 00 A0 AF 11 A3 E9 01 00 00
{255} normal block at 0x000001E9A1531B80, 16 bytes long.
Data: <@/S¡é > 40 2F 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000001E9A1531EF0, 16 bytes long.
Data: < /S¡é > 18 2F 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000001E9A152C160, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{252} normal block at 0x000001E9A1532800, 16 bytes long.
Data: <ð.S¡é > F0 2E 53 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{251} normal block at 0x000001E9A1532EF0, 992 bytes long.
Data: < (S¡é `ÁR¡é > 00 28 53 A1 E9 01 00 00 60 C1 52 A1 E9 01 00 00
{87} normal block at 0x000001E9A152C340, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{86} normal block at 0x000001E9A1526D90, 16 bytes long.
Data: < ¯R¡é > 10 AF 52 A1 E9 01 00 00 00 00 00 00 00 00 00 00
{85} normal block at 0x000001E9A152AF10, 40 bytes long.
Data: < mR¡é @ÃR¡é > 90 6D 52 A1 E9 01 00 00 40 C3 52 A1 E9 01 00 00
{64} normal block at 0x000001E9A15267A0, 16 bytes long.
Data: < ê ÷ > 80 EA 01 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E9A1526570, 16 bytes long.
Data: <@é ÷ > 40 E9 01 1A F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E9A1526840, 16 bytes long.
Data: <øWþ ÷ > F8 57 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E9A1526C50, 16 bytes long.
Data: <ØWþ ÷ > D8 57 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E9A1526250, 16 bytes long.
Data: <P þ ÷ > 50 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000001E9A1526200, 16 bytes long.
Data: <0 þ ÷ > 30 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000001E9A1526B10, 16 bytes long.
Data: <à þ ÷ > E0 02 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000001E9A1526A70, 16 bytes long.
Data: < þ ÷ > 10 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000001E9A1526700, 16 bytes long.
Data: <p þ ÷ > 70 04 FE 19 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000001E9A15260C0, 16 bytes long.
Data: < Àü ÷ > 18 C0 FC 19 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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