Task 38680209
| Name | test_266-GPUGRID_TEST_ATM_40STEP_20261023-19-40-RND3525_0 |
| Workunit | 31621941 |
| Created | 26 Oct 2026, 23:10:31 UTC |
| Sent | 26 Oct 2026, 23:10:39 UTC |
| Report deadline | 31 Oct 2026, 23:10:39 UTC |
| Received | 27 Oct 2026, 11:27:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651945 |
| Run time | 1 hours 47 min 3 sec |
| CPU time | 1 hours 38 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,346.66 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 683.92 MB |
| Peak swap size | 8.39 GB |
| Peak disk usage | 3.93 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:19:03 (6360): wrapper (7.9.26016): starting
20:19:03 (6360): 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
20:19:05 (6360): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:19:05 (6360): 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\16\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\16\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.
07:22:21 (29412): wrapper (7.9.26016): starting
07:22:21 (29412): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\16\tmp already exists.
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
07:24:12 (29412): C:/Windows/system32/cmd.exe exited; CPU time 74.359375
07:24:12 (29412): 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: 1916733 bytes.
Dumping objects ->
{1608} normal block at 0x000001C7E2654880, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1597} normal block at 0x000001C7E2654810, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1586} normal block at 0x000001C7E2654AB0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1575} normal block at 0x000001C7E2654A40, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1564} normal block at 0x000001C7E2654D50, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1533} normal block at 0x000001C7E2649060, 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) : {1520} normal block at 0x000001C7E26560A0, 8 bytes long.
Data: < ! > 00 00 21 E4 C7 01 00 00
{305} normal block at 0x000001C7E2655C40, 8 bytes long.
Data: < fe > B0 66 65 E2 C7 01 00 00
{296} normal block at 0x000001C7E26462B0, 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 0x000001C7E2655F10, 16 bytes long.
Data: < Ue > A8 55 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001C7E2655BA0, 16 bytes long.
Data: < Ue > 80 55 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001C7E264FDF0, 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 0x000001C7E2655EC0, 16 bytes long.
Data: <XUe > 58 55 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001C7E2655A60, 16 bytes long.
Data: <0Ue > 30 55 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001C7E2655E20, 16 bytes long.
Data: < Ue > 08 55 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001C7E2656460, 16 bytes long.
Data: < Te > E0 54 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001C7E26549D0, 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 0x000001C7E2655AB0, 16 bytes long.
Data: < c > E8 B5 63 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001C7E26503F0, 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 0x000001C7E26563C0, 16 bytes long.
Data: < c > C0 B5 63 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001C7E2655D30, 16 bytes long.
Data: < c > 98 B5 63 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001C7E2655A10, 16 bytes long.
Data: <p c > 70 B5 63 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001C7E2656280, 16 bytes long.
Data: <H c > 48 B5 63 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001C7E26558D0, 16 bytes long.
Data: < c > 20 B5 63 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001C7E26565A0, 16 bytes long.
Data: < c > F8 B4 63 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001C7E264FFD0, 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 0x000001C7E2655BF0, 16 bytes long.
Data: < c > D0 B4 63 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001C7E263B4D0, 320 bytes long.
Data: < [e d > F0 5B 65 E2 C7 01 00 00 D0 FF 64 E2 C7 01 00 00
{275} normal block at 0x000001C7E2655B50, 16 bytes long.
Data: < Te > C0 54 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001C7E2655830, 16 bytes long.
Data: < Te > 98 54 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001C7E264F8B0, 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 0x000001C7E2655E70, 16 bytes long.
Data: <pTe > 70 54 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001C7E264F790, 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 0x000001C7E26565F0, 16 bytes long.
Data: < Se > B8 53 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001C7E26561E0, 16 bytes long.
Data: < Se > 90 53 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001C7E26559C0, 16 bytes long.
Data: <hSe > 68 53 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001C7E2656550, 16 bytes long.
Data: <@Se > 40 53 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001C7E2656410, 16 bytes long.
Data: < Se > 18 53 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001C7E264F360, 16 bytes long.
Data: < Re > F0 52 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001C7E264F310, 16 bytes long.
Data: < Le > 00 4C 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001C7E2654C00, 40 bytes long.
Data: < d ` d > 10 F3 64 E2 C7 01 00 00 60 90 64 E2 C7 01 00 00
{261} normal block at 0x000001C7E264F220, 16 bytes long.
Data: < Re > D0 52 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001C7E264EBE0, 16 bytes long.
Data: < Re > A8 52 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001C7E26500F0, 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 0x000001C7E264EAA0, 16 bytes long.
Data: < Re > 80 52 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001C7E2655280, 992 bytes long.
Data: < d e > A0 EA 64 E2 C7 01 00 00 F0 00 65 E2 C7 01 00 00
{93} normal block at 0x000001C7E264F7F0, 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 0x000001C7E264EE60, 16 bytes long.
Data: < Me > C0 4D 65 E2 C7 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001C7E2654DC0, 40 bytes long.
Data: <` d d > 60 EE 64 E2 C7 01 00 00 F0 F7 64 E2 C7 01 00 00
{70} normal block at 0x000001C7E264F040, 16 bytes long.
Data: < R > 80 EA 52 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001C7E264EC80, 16 bytes long.
Data: <@ R > 40 E9 52 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001C7E264F590, 16 bytes long.
Data: < WO > F8 57 4F 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001C7E264EE10, 16 bytes long.
Data: < WO > D8 57 4F 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001C7E264F0E0, 16 bytes long.
Data: <P O > 50 04 4F 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001C7E264ED20, 16 bytes long.
Data: <0 O > 30 04 4F 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001C7E264E7D0, 16 bytes long.
Data: < O > E0 02 4F 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001C7E264F540, 16 bytes long.
Data: < O > 10 04 4F 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001C7E264EA50, 16 bytes long.
Data: <p O > 70 04 4F 88 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001C7E264EF50, 16 bytes long.
Data: < M > 18 C0 4D 88 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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