Task 38665913
| Name | test_676-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND7182_1 |
| Workunit | 31608678 |
| Created | 25 Oct 2026, 1:45:46 UTC |
| Sent | 25 Oct 2026, 2:58:24 UTC |
| Report deadline | 30 Oct 2026, 2:58:24 UTC |
| Received | 25 Oct 2026, 7:14:43 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 602597 |
| Run time | 3 hours 14 min 6 sec |
| CPU time | 2 hours 23 min 47 sec |
| Validate state | Valid |
| Credit | 600,000.00 |
| Device peak FLOPS | 40,001.07 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 718.66 MB |
| Peak swap size | 8.51 GB |
| Peak disk usage | 2.97 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
19:59:20 (115992): wrapper (7.9.26016): starting
19:59:20 (115992): 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
19:59:21 (115992): Library/usr/bin/tar.exe exited; CPU time 0.031250
19:59:21 (115992): 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\17\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\17\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835110} normal block at 0x0000025DCC44B840, 8 bytes long.
Data: < @ ] > 00 00 40 CC 5D 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833958} normal block at 0x0000025DCC43C3B0, 1080 bytes long.
Data: < > D4 D7 01 00 CD CD CD CD D0 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000025DCC43F690, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
22:06:49 (123620): wrapper (7.9.26016): starting
22:06:49 (123620): 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\17\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
00:14:25 (123620): C:/Windows/system32/cmd.exe exited; CPU time 5827.671875
00:14:25 (123620): 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: 170266721 bytes.
Dumping objects ->
{1544} normal block at 0x0000025ED925EA20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1533} normal block at 0x0000025ED925EBE0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1522} normal block at 0x0000025ED925EDA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1511} normal block at 0x0000025ED925EFD0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1500} normal block at 0x0000025ED925EB00, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1469} normal block at 0x0000025ED924AFC0, 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) : {1456} normal block at 0x0000025ED9262E10, 8 bytes long.
Data: < ^ > 00 00 C1 DA 5E 02 00 00
{305} normal block at 0x0000025ED9262DC0, 8 bytes long.
Data: < D& ^ > 10 44 26 D9 5E 02 00 00
{296} normal block at 0x0000025ED924BFB0, 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 0x0000025ED9263360, 16 bytes long.
Data: < C& ^ > 18 43 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025ED92634A0, 16 bytes long.
Data: < B& ^ > F0 42 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000025ED925D320, 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 0x0000025ED9263770, 16 bytes long.
Data: < B& ^ > C8 42 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000025ED9263180, 16 bytes long.
Data: < B& ^ > A0 42 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000025ED9263590, 16 bytes long.
Data: <xB& ^ > 78 42 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025ED9263680, 16 bytes long.
Data: <PB& ^ > 50 42 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025ED925EA90, 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 0x0000025ED9262D20, 16 bytes long.
Data: <h $ ^ > 68 DF 24 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025ED925D200, 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 0x0000025ED9262EB0, 16 bytes long.
Data: <@ $ ^ > 40 DF 24 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000025ED9262E60, 16 bytes long.
Data: < $ ^ > 18 DF 24 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025ED9263810, 16 bytes long.
Data: < $ ^ > F0 DE 24 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000025ED9263220, 16 bytes long.
Data: < $ ^ > C8 DE 24 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025ED92636D0, 16 bytes long.
Data: < $ ^ > A0 DE 24 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025ED9262D70, 16 bytes long.
Data: <x $ ^ > 78 DE 24 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000025ED925D0E0, 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 0x0000025ED92631D0, 16 bytes long.
Data: <P $ ^ > 50 DE 24 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000025ED924DE50, 320 bytes long.
Data: < 1& ^ % ^ > D0 31 26 D9 5E 02 00 00 E0 D0 25 D9 5E 02 00 00
{275} normal block at 0x0000025ED9263270, 16 bytes long.
Data: <0B& ^ > 30 42 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025ED9263860, 16 bytes long.
Data: < B& ^ > 08 42 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025ED925D140, 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 0x0000025ED92630E0, 16 bytes long.
Data: < A& ^ > E0 41 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025ED925D8C0, 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 0x0000025ED9262C30, 16 bytes long.
Data: <(A& ^ > 28 41 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025ED92634F0, 16 bytes long.
Data: < A& ^ > 00 41 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025ED9263400, 16 bytes long.
Data: < @& ^ > D8 40 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000025ED9263900, 16 bytes long.
Data: < @& ^ > B0 40 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025ED9262F50, 16 bytes long.
Data: < @& ^ > 88 40 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025ED9263950, 16 bytes long.
Data: <`@& ^ > 60 40 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025ED9263090, 16 bytes long.
Data: <` % ^ > 60 EF 25 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000025ED925EF60, 40 bytes long.
Data: < 0& ^ $ ^ > 90 30 26 D9 5E 02 00 00 C0 AF 24 D9 5E 02 00 00
{261} normal block at 0x0000025ED9263040, 16 bytes long.
Data: <@@& ^ > 40 40 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000025ED9263310, 16 bytes long.
Data: < @& ^ > 18 40 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000025ED925CD80, 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 0x0000025ED9262FA0, 16 bytes long.
Data: < ?& ^ > F0 3F 26 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000025ED9263FF0, 992 bytes long.
Data: < /& ^ % ^ > A0 2F 26 D9 5E 02 00 00 80 CD 25 D9 5E 02 00 00
{93} normal block at 0x0000025ED925D1A0, 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 0x0000025ED925ADA0, 16 bytes long.
Data: < % ^ > F0 EE 25 D9 5E 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000025ED925EEF0, 40 bytes long.
Data: < % ^ % ^ > A0 AD 25 D9 5E 02 00 00 A0 D1 25 D9 5E 02 00 00
{70} normal block at 0x0000025ED925AF30, 16 bytes long.
Data: < w > 80 EA 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025ED925AC60, 16 bytes long.
Data: <@ w > 40 E9 09 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025ED925AD50, 16 bytes long.
Data: < W w > F8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025ED925B340, 16 bytes long.
Data: < W w > D8 57 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025ED925B160, 16 bytes long.
Data: <P w > 50 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025ED925AC10, 16 bytes long.
Data: <0 w > 30 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000025ED925AA80, 16 bytes long.
Data: < w > E0 02 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000025ED925AE40, 16 bytes long.
Data: < w > 10 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000025ED925AFD0, 16 bytes long.
Data: <p w > 70 04 06 77 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000025ED925AAD0, 16 bytes long.
Data: < w > 18 C0 04 77 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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