Task 38684978
| Name | test_629-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND4532_0 |
| Workunit | 31626476 |
| Created | 27 Oct 2026, 18:52:04 UTC |
| Sent | 27 Oct 2026, 18:52:06 UTC |
| Report deadline | 1 Nov 2026, 18:52:06 UTC |
| Received | 28 Oct 2026, 5:11:51 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652253 |
| Run time | 1 hours 3 min 59 sec |
| CPU time | 1 hours 0 min 34 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,168.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 742.43 MB |
| Peak swap size | 6.92 GB |
| Peak disk usage | 3.11 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:30:53 (8712): wrapper (7.9.26016): starting
21:30:53 (8712): 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
21:30:55 (8712): Library/usr/bin/tar.exe exited; CPU time 0.015625
21:30:55 (8712): 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\13\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\13\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
22:32:37 (8712): C:/Windows/system32/cmd.exe exited; CPU time 3634.625000
22:32:37 (8712): 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: 75905555 bytes.
Dumping objects ->
{3835893} normal block at 0x000002143E6875D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835882} normal block at 0x000002143E687560, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835871} normal block at 0x000002143E687020, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835860} normal block at 0x000002143E687090, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835849} normal block at 0x000002143E686ED0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835818} normal block at 0x00000214402E5250, 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) : {3835805} normal block at 0x000002143E680460, 8 bytes long.
Data: < ¨> > 00 00 A8 3E 14 02 00 00
{3833957} normal block at 0x000002143E6802D0, 8 bytes long.
Data: <p°j> > 70 B0 6A 3E 14 02 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002143E6827E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002143E6776D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x000002143E6863B0, 16 bytes long.
Data: < mh> > 88 6D 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002143E6868B0, 16 bytes long.
Data: <`mh> > 60 6D 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002143E681110, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x000002143E686770, 16 bytes long.
Data: <8mh> > 38 6D 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002143E685AF0, 16 bytes long.
Data: < mh> > 10 6D 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002143E685C80, 16 bytes long.
Data: <èlh> > E8 6C 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002143E686540, 16 bytes long.
Data: <Àlh> > C0 6C 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002143E687250, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x000002143E6864F0, 16 bytes long.
Data: <Xµf> > 58 B5 66 3E 14 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002143E681A10, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x000002143E686090, 16 bytes long.
Data: <0µf> > 30 B5 66 3E 14 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002143E686450, 16 bytes long.
Data: < µf> > 08 B5 66 3E 14 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002143E686400, 16 bytes long.
Data: <à´f> > E0 B4 66 3E 14 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002143E686680, 16 bytes long.
Data: <¸´f> > B8 B4 66 3E 14 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002143E686950, 16 bytes long.
Data: < ´f> > 90 B4 66 3E 14 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002143E686860, 16 bytes long.
Data: <h´f> > 68 B4 66 3E 14 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002143E681050, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x000002143E686360, 16 bytes long.
Data: <@´f> > 40 B4 66 3E 14 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002143E66B440, 320 bytes long.
Data: <`ch> P h> > 60 63 68 3E 14 02 00 00 50 10 68 3E 14 02 00 00
{274} normal block at 0x000002143E6860E0, 16 bytes long.
Data: < lh> > A0 6C 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002143E686310, 16 bytes long.
Data: <xlh> > 78 6C 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002143E680CF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x000002143E6869F0, 16 bytes long.
Data: <Plh> > 50 6C 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002143E680ED0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x000002143E6869A0, 16 bytes long.
Data: < kh> > 98 6B 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002143E686270, 16 bytes long.
Data: <pkh> > 70 6B 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002143E6866D0, 16 bytes long.
Data: <Hkh> > 48 6B 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002143E686040, 16 bytes long.
Data: < kh> > 20 6B 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002143E685AA0, 16 bytes long.
Data: <øjh> > F8 6A 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002143E686180, 16 bytes long.
Data: <Ðjh> > D0 6A 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002143E686220, 16 bytes long.
Data: <  g> > A0 0B 67 3E 14 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002143E670BA0, 40 bytes long.
Data: < bh> PR.@ > 20 62 68 3E 14 02 00 00 50 52 2E 40 14 02 00 00
{260} normal block at 0x000002143E685E10, 16 bytes long.
Data: <°jh> > B0 6A 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002143E6862C0, 16 bytes long.
Data: < jh> > 88 6A 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002143E681530, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x000002143E6861D0, 16 bytes long.
Data: <`jh> > 60 6A 68 3E 14 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002143E686A60, 992 bytes long.
Data: <Ðah> 0 h> > D0 61 68 3E 14 02 00 00 30 15 68 3E 14 02 00 00
{92} normal block at 0x000002143E681170, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x000002143E680640, 16 bytes long.
Data: <ÀÆf> > C0 C6 66 3E 14 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000002143E66C6C0, 40 bytes long.
Data: <@ h> p h> > 40 06 68 3E 14 02 00 00 70 11 68 3E 14 02 00 00
{69} normal block at 0x000002143E67FD30, 16 bytes long.
Data: < êûý÷ > 80 EA FB FD F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002143E6800F0, 16 bytes long.
Data: <@éûý÷ > 40 E9 FB FD F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002143E6800A0, 16 bytes long.
Data: <øWøý÷ > F8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002143E67FB50, 16 bytes long.
Data: <ØWøý÷ > D8 57 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002143E680780, 16 bytes long.
Data: <P øý÷ > 50 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002143E680190, 16 bytes long.
Data: <0 øý÷ > 30 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002143E680370, 16 bytes long.
Data: <à øý÷ > E0 02 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002143E6807D0, 16 bytes long.
Data: < øý÷ > 10 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002143E680A50, 16 bytes long.
Data: <p øý÷ > 70 04 F8 FD F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002143E680550, 16 bytes long.
Data: < Àöý÷ > 18 C0 F6 FD F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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