Task 38645288
| Name | test_21-GPUGRID_TEST_ATM_100_20261023-0-1-RND9381_0 |
| Workunit | 31590258 |
| Created | 23 Oct 2026, 15:25:38 UTC |
| Sent | 23 Oct 2026, 15:28:30 UTC |
| Report deadline | 28 Oct 2026, 15:28:30 UTC |
| Received | 25 Oct 2026, 10:42:04 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654520 |
| Run time | 10 min 16 sec |
| CPU time | 9 min 50 sec |
| Validate state | Valid |
| Credit | 1,000.00 |
| 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 | 755.44 MB |
| Peak swap size | 13.25 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:31:17 (29748): wrapper (7.9.26016): starting
18:31:17 (29748): 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
18:31:18 (29748): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:31:18 (29748): 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
18:41:16 (29748): C:/Windows/system32/cmd.exe exited; CPU time 590.640625
18:41:16 (29748): 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: 13304113 bytes.
Dumping objects ->
{3835687} normal block at 0x0000019F2A699CE0, 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 0x0000019F2A699730, 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 0x0000019F2A699650, 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 0x0000019F2A699880, 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 0x0000019F2A699490, 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 0x0000019F2C7EA550, 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 0x0000019F2A66DC00, 8 bytes long.
Data: < , > 00 00 12 2C 9F 01 00 00
{3834089} normal block at 0x0000019F2A66DD40, 8 bytes long.
Data: < 5 , > 20 35 84 2C 9F 01 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000019F2A671930, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x0000019F2A666880, 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 0x0000019F2A675E20, 16 bytes long.
Data: < lg* > A8 6C 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000019F2A675DD0, 16 bytes long.
Data: < lg* > 80 6C 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000019F2A66F800, 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 0x0000019F2A676320, 16 bytes long.
Data: <Xlg* > 58 6C 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000019F2A6759C0, 16 bytes long.
Data: <0lg* > 30 6C 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000019F2A676000, 16 bytes long.
Data: < lg* > 08 6C 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019F2A675D30, 16 bytes long.
Data: < kg* > E0 6B 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019F2A673D80, 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 0x0000019F2A675F60, 16 bytes long.
Data: < Vg* > A8 56 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019F2A66ED80, 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 0x0000019F2A676690, 16 bytes long.
Data: < Vg* > 80 56 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019F2A676140, 16 bytes long.
Data: <XVg* > 58 56 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019F2A676820, 16 bytes long.
Data: <0Vg* > 30 56 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019F2A675F10, 16 bytes long.
Data: < Vg* > 08 56 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019F2A675EC0, 16 bytes long.
Data: < Ug* > E0 55 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019F2A6765F0, 16 bytes long.
Data: < Ug* > B8 55 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019F2A66F980, 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 0x0000019F2A6762D0, 16 bytes long.
Data: < Ug* > 90 55 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019F2A675590, 320 bytes long.
Data: < bg* f* > D0 62 67 2A 9F 01 00 00 80 F9 66 2A 9F 01 00 00
{284} normal block at 0x0000019F2A675C40, 16 bytes long.
Data: < kg* > C0 6B 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019F2A675B50, 16 bytes long.
Data: < kg* > 98 6B 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019F2A66F5C0, 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 0x0000019F2A6767D0, 16 bytes long.
Data: <pkg* > 70 6B 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019F2A66F140, 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 0x0000019F2A676910, 16 bytes long.
Data: < jg* > B8 6A 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019F2A676280, 16 bytes long.
Data: < jg* > 90 6A 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019F2A6766E0, 16 bytes long.
Data: <hjg* > 68 6A 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019F2A6763C0, 16 bytes long.
Data: <@jg* > 40 6A 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019F2A6760F0, 16 bytes long.
Data: < jg* > 18 6A 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019F2A675E70, 16 bytes long.
Data: < ig* > F0 69 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019F2A675BF0, 16 bytes long.
Data: <p:g* > 70 3A 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019F2A673A70, 40 bytes long.
Data: < [g* P ~, > F0 5B 67 2A 9F 01 00 00 50 A5 7E 2C 9F 01 00 00
{270} normal block at 0x0000019F2A676870, 16 bytes long.
Data: < ig* > D0 69 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019F2A675D80, 16 bytes long.
Data: < ig* > A8 69 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019F2A66F260, 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 0x0000019F2A675FB0, 16 bytes long.
Data: < ig* > 80 69 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019F2A676980, 992 bytes long.
Data: < _g* ` f* > B0 5F 67 2A 9F 01 00 00 60 F2 66 2A 9F 01 00 00
{102} normal block at 0x0000019F2A66F080, 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 0x0000019F2A66D7A0, 16 bytes long.
Data: < 9g* > 90 39 67 2A 9F 01 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000019F2A673990, 40 bytes long.
Data: < f* f* > A0 D7 66 2A 9F 01 00 00 80 F0 66 2A 9F 01 00 00
{77} normal block at 0x0000019F2A66E1A0, 16 bytes long.
Data: < > 80 EA B5 18 F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000019F2A66D750, 16 bytes long.
Data: <@ > 40 E9 B5 18 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000019F2A66D7F0, 16 bytes long.
Data: < W > F8 57 B2 18 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000019F2A66D840, 16 bytes long.
Data: < W > D8 57 B2 18 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000019F2A66D700, 16 bytes long.
Data: <P > 50 04 B2 18 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019F2A66D520, 16 bytes long.
Data: <0 > 30 04 B2 18 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019F2A66D3E0, 16 bytes long.
Data: < > E0 02 B2 18 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019F2A66E060, 16 bytes long.
Data: < > 10 04 B2 18 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000019F2A66D610, 16 bytes long.
Data: <p > 70 04 B2 18 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019F2A66E010, 16 bytes long.
Data: < > 18 C0 B0 18 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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