Task 38683867
| Name | test_922-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND9923_0 |
| Workunit | 31625406 |
| Created | 27 Oct 2026, 13:41:02 UTC |
| Sent | 27 Oct 2026, 13:41:10 UTC |
| Report deadline | 1 Nov 2026, 13:41:10 UTC |
| Received | 27 Oct 2026, 14:05:39 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654520 |
| Run time | 11 min 50 sec |
| CPU time | 11 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 107,364.84 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 754.94 MB |
| Peak swap size | 13.24 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:54:02 (15580): wrapper (7.9.26016): starting
21:54:02 (15580): 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
21:54:03 (15580): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:54:03 (15580): 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
22:05:20 (15580): C:/Windows/system32/cmd.exe exited; CPU time 666.656250
22:05:20 (15580): 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: 10715613 bytes.
Dumping objects ->
{3835687} normal block at 0x000001B0148593F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835676} normal block at 0x000001B0148599A0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835665} normal block at 0x000001B0148598C0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835654} normal block at 0x000001B014858DD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835643} normal block at 0x000001B014858F20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835612} normal block at 0x000001B0168E4E40, 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) : {3835599} normal block at 0x000001B01482E030, 8 bytes long.
Data: < + > 00 00 2B 16 B0 01 00 00
{3834089} normal block at 0x000001B01482DFE0, 8 bytes long.
Data: < 8 > 90 38 94 16 B0 01 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x000001B014831450, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001B014826300, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x000001B0148359D0, 16 bytes long.
Data: <(k > 28 6B 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001B014835930, 16 bytes long.
Data: < k > 00 6B 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001B01482F100, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x000001B014835FC0, 16 bytes long.
Data: < j > D8 6A 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001B014836290, 16 bytes long.
Data: < j > B0 6A 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001B014835E30, 16 bytes long.
Data: < j > 88 6A 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001B014836600, 16 bytes long.
Data: <`j > 60 6A 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B014833E30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x000001B0148361A0, 16 bytes long.
Data: <(U > 28 55 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B01482FB20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x000001B014836650, 16 bytes long.
Data: < U > 00 55 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B014835A70, 16 bytes long.
Data: < T > D8 54 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B0148364C0, 16 bytes long.
Data: < T > B0 54 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B014835B10, 16 bytes long.
Data: < T > 88 54 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B0148362E0, 16 bytes long.
Data: <`T > 60 54 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B014836790, 16 bytes long.
Data: <8T > 38 54 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B01482F400, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x000001B014836150, 16 bytes long.
Data: < T > 10 54 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B014835410, 320 bytes long.
Data: <Pa > 50 61 83 14 B0 01 00 00 00 F4 82 14 B0 01 00 00
{284} normal block at 0x000001B014836100, 16 bytes long.
Data: <@j > 40 6A 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B0148360B0, 16 bytes long.
Data: < j > 18 6A 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B01482ED40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x000001B014835DE0, 16 bytes long.
Data: < i > F0 69 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B01482F820, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x000001B014835D40, 16 bytes long.
Data: <8i > 38 69 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B0148366F0, 16 bytes long.
Data: < i > 10 69 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B014835AC0, 16 bytes long.
Data: < h > E8 68 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B014835C50, 16 bytes long.
Data: < h > C0 68 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B014836740, 16 bytes long.
Data: < h > 98 68 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B014836330, 16 bytes long.
Data: <ph > 70 68 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B014836010, 16 bytes long.
Data: < < > 00 3C 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B014833C00, 40 bytes long.
Data: < ` @N > 10 60 83 14 B0 01 00 00 40 4E 8E 16 B0 01 00 00
{270} normal block at 0x000001B014836470, 16 bytes long.
Data: <Ph > 50 68 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B0148363D0, 16 bytes long.
Data: <(h > 28 68 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B01482F3A0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x000001B014835D90, 16 bytes long.
Data: < h > 00 68 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B014836800, 992 bytes long.
Data: < ] > 90 5D 83 14 B0 01 00 00 A0 F3 82 14 B0 01 00 00
{102} normal block at 0x000001B01482EFE0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x000001B01482DE00, 16 bytes long.
Data: < : > B0 3A 83 14 B0 01 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x000001B014833AB0, 40 bytes long.
Data: < > 00 DE 82 14 B0 01 00 00 E0 EF 82 14 B0 01 00 00
{77} normal block at 0x000001B01482D7C0, 16 bytes long.
Data: < A > 80 EA E2 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001B01482D3B0, 16 bytes long.
Data: <@ A > 40 E9 E2 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001B01482DEF0, 16 bytes long.
Data: < W A > F8 57 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001B01482D360, 16 bytes long.
Data: < W A > D8 57 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001B01482DAE0, 16 bytes long.
Data: <P A > 50 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001B01482D9F0, 16 bytes long.
Data: <0 A > 30 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B01482DF40, 16 bytes long.
Data: < A > E0 02 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B01482DEA0, 16 bytes long.
Data: < A > 10 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B01482DA40, 16 bytes long.
Data: <p A > 70 04 DF 41 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B01482D860, 16 bytes long.
Data: < A > 18 C0 DD 41 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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