Task 38673971
| Name | test_462-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND2698_1 |
| Workunit | 31615909 |
| Created | 26 Oct 2026, 3:56:45 UTC |
| Sent | 26 Oct 2026, 3:56:48 UTC |
| Report deadline | 31 Oct 2026, 3:56:48 UTC |
| Received | 26 Oct 2026, 6:17:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 613000 |
| Run time | 1 hours 4 min 6 sec |
| CPU time | 1 hours 4 min 6 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 3,094.79 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 630.41 MB |
| Peak swap size | 2.17 GB |
| Peak disk usage | 1.47 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
11:15:21 (9688): wrapper (7.9.26016): starting
11:15:21 (9688): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
11:17:49 (6896): wrapper (7.9.26016): starting
11:17:49 (6896): 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
11:17:51 (6896): Library/usr/bin/tar.exe exited; CPU time 0.046875
11:17:51 (6896): 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\2\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\2\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
13:16:49 (6896): C:/Windows/system32/cmd.exe exited; CPU time 3846.828125
13:16:49 (6896): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 142650063 bytes.
Dumping objects ->
{1559} normal block at 0x000001B9909BD850, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1548} normal block at 0x000001B9909BDA80, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1537} normal block at 0x000001B9909BD7E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1526} normal block at 0x000001B9909BD700, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1515} normal block at 0x000001B9909BDA10, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1484} normal block at 0x000001B9909AC040, 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) : {1471} normal block at 0x000001B9909C5610, 8 bytes long.
Data: < > 00 00 98 90 B9 01 00 00
{306} normal block at 0x000001B9909C5C00, 8 bytes long.
Data: < r > A0 72 9C 90 B9 01 00 00
{298} normal block at 0x000001B9909A6A50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001B9909C50C0, 16 bytes long.
Data: < q > A8 71 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001B9909C5070, 16 bytes long.
Data: < q > 80 71 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B9909BCF50, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001B9909C57A0, 16 bytes long.
Data: <Xq > 58 71 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001B9909C5430, 16 bytes long.
Data: <0q > 30 71 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B9909C5020, 16 bytes long.
Data: < q > 08 71 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B9909C5750, 16 bytes long.
Data: < p > E0 70 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B9909BDC40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001B9909C55C0, 16 bytes long.
Data: < i > E8 69 9A 90 B9 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001B9909BC590, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001B9909C5700, 16 bytes long.
Data: < i > C0 69 9A 90 B9 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001B9909C53E0, 16 bytes long.
Data: < i > 98 69 9A 90 B9 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B9909C56B0, 16 bytes long.
Data: <pi > 70 69 9A 90 B9 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B9909C5520, 16 bytes long.
Data: <Hi > 48 69 9A 90 B9 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B9909C5390, 16 bytes long.
Data: < i > 20 69 9A 90 B9 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B9909C5660, 16 bytes long.
Data: < h > F8 68 9A 90 B9 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B9909BC530, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001B9909C5AC0, 16 bytes long.
Data: < h > D0 68 9A 90 B9 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001B9909A68D0, 320 bytes long.
Data: < Z 0 > C0 5A 9C 90 B9 01 00 00 30 C5 9B 90 B9 01 00 00
{277} normal block at 0x000001B9909C5A20, 16 bytes long.
Data: < p > C0 70 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001B9909C5340, 16 bytes long.
Data: < p > 98 70 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B9909BD310, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001B9909C4E40, 16 bytes long.
Data: <pp > 70 70 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001B9909BCA70, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001B9909C52F0, 16 bytes long.
Data: < o > B8 6F 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001B9909C5A70, 16 bytes long.
Data: < o > 90 6F 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B9909C54D0, 16 bytes long.
Data: <ho > 68 6F 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B9909C5930, 16 bytes long.
Data: <@o > 40 6F 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B9909C52A0, 16 bytes long.
Data: < o > 18 6F 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B9909C4EE0, 16 bytes long.
Data: < n > F0 6E 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001B9909C5570, 16 bytes long.
Data: <p > 70 D7 9B 90 B9 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B9909BD770, 40 bytes long.
Data: <pU @ > 70 55 9C 90 B9 01 00 00 40 C0 9A 90 B9 01 00 00
{263} normal block at 0x000001B9909C5250, 16 bytes long.
Data: < n > D0 6E 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001B9909C4DA0, 16 bytes long.
Data: < n > A8 6E 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B9909BC5F0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001B9909C5890, 16 bytes long.
Data: < n > 80 6E 9C 90 B9 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001B9909C6E80, 992 bytes long.
Data: < X > 90 58 9C 90 B9 01 00 00 F0 C5 9B 90 B9 01 00 00
{95} normal block at 0x000001B9909BCE30, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001B9909B8160, 16 bytes long.
Data: < > F0 DA 9B 90 B9 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001B9909BDAF0, 40 bytes long.
Data: <` 0 > 60 81 9B 90 B9 01 00 00 30 CE 9B 90 B9 01 00 00
{72} normal block at 0x000001B9909B8110, 16 bytes long.
Data: < y > 80 EA 79 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001B9909B7F30, 16 bytes long.
Data: <@ y > 40 E9 79 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001B9909B7A30, 16 bytes long.
Data: < Wv > F8 57 76 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001B9909B7BC0, 16 bytes long.
Data: < Wv > D8 57 76 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B9909B7C60, 16 bytes long.
Data: <P v > 50 04 76 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B9909B80C0, 16 bytes long.
Data: <0 v > 30 04 76 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B9909B7B70, 16 bytes long.
Data: < v > E0 02 76 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B9909B7DA0, 16 bytes long.
Data: < v > 10 04 76 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B9909B7D50, 16 bytes long.
Data: <p v > 70 04 76 9E F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B9909B83E0, 16 bytes long.
Data: < t > 18 C0 74 9E F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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