Task 38666067
| Name | test_14-GPUGRID_TEST_ATM_40STEP_20261023-8-40-RND4642_0 |
| Workunit | 31609096 |
| Created | 25 Oct 2026, 2:01:49 UTC |
| Sent | 25 Oct 2026, 2:12:32 UTC |
| Report deadline | 30 Oct 2026, 2:12:32 UTC |
| Received | 25 Oct 2026, 3:45:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 617663 |
| Run time | 30 min 24 sec |
| CPU time | 28 min 31 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,394.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 714.16 MB |
| Peak swap size | 6.86 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
22:14:31 (19544): wrapper (7.9.26016): starting
22:14:31 (19544): 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
22:14:32 (19544): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:14:32 (19544): 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 'F:\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 'F:\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
22:44:39 (19544): C:/Windows/system32/cmd.exe exited; CPU time 1711.843750
22:44:39 (19544): 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: 37178063 bytes.
Dumping objects ->
{3835194} normal block at 0x00000222D07A9910, 48 bytes long.
Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{3835183} normal block at 0x00000222CEBD5410, 48 bytes long.
Data: <HOME=F:\ProgramD> 48 4F 4D 45 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{3835172} normal block at 0x00000222CEBD59C0, 48 bytes long.
Data: <TMP=F:\ProgramDa> 54 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835161} normal block at 0x00000222CEBD58E0, 48 bytes long.
Data: <TEMP=F:\ProgramD> 54 45 4D 50 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
{3835150} normal block at 0x00000222CEBD5A30, 48 bytes long.
Data: <TMPDIR=F:\Progra> 54 4D 50 44 49 52 3D 46 3A 5C 50 72 6F 67 72 61
{3835119} normal block at 0x00000222D07B9940, 64 bytes long.
Data: <PATH=F:\ProgramD> 50 41 54 48 3D 46 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835106} normal block at 0x00000222CEBCEFA0, 8 bytes long.
Data: < îÎ" > 00 00 EE CE 22 02 00 00
{3833959} normal block at 0x00000222CEBCED20, 8 bytes long.
Data: < ŠzÐ" > 00 8A 7A D0 22 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000222CEBC6AD0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000222CEBC82D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000222CEBD6720, 16 bytes long.
Data: <Hd½Î" > 48 64 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000222CEBD6590, 16 bytes long.
Data: < d½Î" > 20 64 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000222CEBD14C0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000222CEBD6BD0, 16 bytes long.
Data: <øc½Î" > F8 63 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000222CEBD73F0, 16 bytes long.
Data: <Ðc½Î" > D0 63 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000222CEBD6DB0, 16 bytes long.
Data: <¨c½Î" > A8 63 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000222CEBD74E0, 16 bytes long.
Data: < c½Î" > 80 63 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000222CEBD5330, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000222CEBD6950, 16 bytes long.
Data: <hλÎ" > 68 CE BB CE 22 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000222CEBD0B00, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000222CEBD66D0, 16 bytes long.
Data: <@λÎ" > 40 CE BB CE 22 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000222CEBD67C0, 16 bytes long.
Data: < λÎ" > 18 CE BB CE 22 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000222CEBD6F40, 16 bytes long.
Data: <ðÍ»Î" > F0 CD BB CE 22 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000222CEBD6A40, 16 bytes long.
Data: <ÈÍ»Î" > C8 CD BB CE 22 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000222CEBD69F0, 16 bytes long.
Data: < Í»Î" > A0 CD BB CE 22 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000222CEBD73A0, 16 bytes long.
Data: <xÍ»Î" > 78 CD BB CE 22 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000222CEBD10A0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000222CEBD6E50, 16 bytes long.
Data: <PÍ»Î" > 50 CD BB CE 22 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000222CEBBCD50, 320 bytes long.
Data: <Pn½Î"   ½Î" > 50 6E BD CE 22 02 00 00 A0 10 BD CE 22 02 00 00
{275} normal block at 0x00000222CEBD6770, 16 bytes long.
Data: <`c½Î" > 60 63 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000222CEBD7260, 16 bytes long.
Data: <8c½Î" > 38 63 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000222CEBD1040, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000222CEBD7350, 16 bytes long.
Data: < c½Î" > 10 63 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000222CEBD1460, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000222CEBD7490, 16 bytes long.
Data: <Xb½Î" > 58 62 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000222CEBD6680, 16 bytes long.
Data: <0b½Î" > 30 62 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000222CEBD6900, 16 bytes long.
Data: < b½Î" > 08 62 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000222CEBD6630, 16 bytes long.
Data: <àa½Î" > E0 61 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000222CEBD65E0, 16 bytes long.
Data: <¸a½Î" > B8 61 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000222CEBCEB40, 16 bytes long.
Data: < a½Î" > 90 61 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000222CEBCF6D0, 16 bytes long.
Data: <ðT½Î" > F0 54 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000222CEBD54F0, 40 bytes long.
Data: <Ðö¼Î" @ {Ð" > D0 F6 BC CE 22 02 00 00 40 99 7B D0 22 02 00 00
{261} normal block at 0x00000222CEBCE9B0, 16 bytes long.
Data: <pa½Î" > 70 61 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000222CEBCF040, 16 bytes long.
Data: <Ha½Î" > 48 61 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000222CEBD1340, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000222CEBCEE60, 16 bytes long.
Data: < a½Î" > 20 61 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000222CEBD6120, 992 bytes long.
Data: <`î¼Î" @ ½Î" > 60 EE BC CE 22 02 00 00 40 13 BD CE 22 02 00 00
{93} normal block at 0x00000222CEBD0DA0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000222CEBCEF50, 16 bytes long.
Data: <PY½Î" > 50 59 BD CE 22 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000222CEBD5950, 40 bytes long.
Data: <Pï¼Î"   ½Î" > 50 EF BC CE 22 02 00 00 A0 0D BD CE 22 02 00 00
{70} normal block at 0x00000222CEBCEF00, 16 bytes long.
Data: < ê&ú÷ > 80 EA 26 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000222CEBCF5E0, 16 bytes long.
Data: <@é&ú÷ > 40 E9 26 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000222CEBCF220, 16 bytes long.
Data: <øW#ú÷ > F8 57 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000222CEBCF680, 16 bytes long.
Data: <ØW#ú÷ > D8 57 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000222CEBCF590, 16 bytes long.
Data: <P #ú÷ > 50 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000222CEBCF900, 16 bytes long.
Data: <0 #ú÷ > 30 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000222CEBCEC80, 16 bytes long.
Data: <à #ú÷ > E0 02 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000222CEBCEBE0, 16 bytes long.
Data: < #ú÷ > 10 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000222CEBCEAA0, 16 bytes long.
Data: <p #ú÷ > 70 04 23 FA F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000222CEBCEEB0, 16 bytes long.
Data: < À!ú÷ > 18 C0 21 FA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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