Task 38653686
| Name | test_180-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND5220_0 |
| Workunit | 31597600 |
| Created | 24 Oct 2026, 6:02:39 UTC |
| Sent | 24 Oct 2026, 7:23:06 UTC |
| Report deadline | 29 Oct 2026, 7:23:06 UTC |
| Received | 24 Oct 2026, 15:41:49 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 643201 |
| Run time | 19 min 3 sec |
| CPU time | 19 min 3 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 23,192.10 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 729.27 MB |
| Peak swap size | 5.47 GB |
| Peak disk usage | 1.57 GB |
Stderr output
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
12:56:49 (34916): wrapper (7.9.26016): starting
12:56:49 (34916): 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
12:56:50 (34916): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:56:50 (34916): 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
17:38:10 (31580): wrapper (7.9.26016): starting
17:38:10 (31580): 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\0\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
17:40:47 (31580): C:/Windows/system32/cmd.exe exited; CPU time 47.437500
17:40:47 (31580): 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: 2679254 bytes.
Dumping objects ->
{1603} normal block at 0x0000020E8F0E4960, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1592} normal block at 0x0000020E8F0E4810, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1581} normal block at 0x0000020E8F0E4570, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1570} normal block at 0x0000020E8F0E46C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1559} normal block at 0x0000020E8F0E45E0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1528} normal block at 0x0000020E8F0CEEE0, 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) : {1515} normal block at 0x0000020E8F0E5850, 8 bytes long.
Data: < u > 00 00 75 8F 0E 02 00 00
{304} normal block at 0x0000020E8F0E5620, 8 bytes long.
Data: < e > C0 65 0E 8F 0E 02 00 00
{295} normal block at 0x0000020E8F0D6C30, 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 0x0000020E8F0E5490, 16 bytes long.
Data: < d > C8 64 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020E8F0E5B20, 16 bytes long.
Data: < d > A0 64 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020E8F0E0B00, 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 0x0000020E8F0E55D0, 16 bytes long.
Data: <xd > 78 64 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020E8F0E5170, 16 bytes long.
Data: <Pd > 50 64 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020E8F0E5AD0, 16 bytes long.
Data: <(d > 28 64 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020E8F0E5120, 16 bytes long.
Data: < d > 00 64 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020E8F0E4420, 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 0x0000020E8F0E5A80, 16 bytes long.
Data: < > A8 9E 0D 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020E8F0E0C80, 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 0x0000020E8F0E59E0, 16 bytes long.
Data: < > 80 9E 0D 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020E8F0E5CB0, 16 bytes long.
Data: <X > 58 9E 0D 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020E8F0E5990, 16 bytes long.
Data: <0 > 30 9E 0D 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020E8F0E50D0, 16 bytes long.
Data: < > 08 9E 0D 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020E8F0E5080, 16 bytes long.
Data: < > E0 9D 0D 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020E8F0E5940, 16 bytes long.
Data: < > B8 9D 0D 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020E8F0E0860, 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 0x0000020E8F0E53A0, 16 bytes long.
Data: < > 90 9D 0D 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020E8F0D9D90, 320 bytes long.
Data: < S ` > A0 53 0E 8F 0E 02 00 00 60 08 0E 8F 0E 02 00 00
{274} normal block at 0x0000020E8F0E5800, 16 bytes long.
Data: < c > E0 63 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020E8F0E5DF0, 16 bytes long.
Data: < c > B8 63 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020E8F0E0620, 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 0x0000020E8F0E5D50, 16 bytes long.
Data: < c > 90 63 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020E8F0E0DA0, 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 0x0000020E8F0E56C0, 16 bytes long.
Data: < b > D8 62 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020E8F0E5710, 16 bytes long.
Data: < b > B0 62 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020E8F0E58F0, 16 bytes long.
Data: < b > 88 62 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020E8F0E57B0, 16 bytes long.
Data: <`b > 60 62 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020E8F0E54E0, 16 bytes long.
Data: <8b > 38 62 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020E8F0E5440, 16 bytes long.
Data: < b > 10 62 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020E8F0E5030, 16 bytes long.
Data: <PF > 50 46 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020E8F0E4650, 40 bytes long.
Data: <0P > 30 50 0E 8F 0E 02 00 00 E0 EE 0C 8F 0E 02 00 00
{260} normal block at 0x0000020E8F0E5760, 16 bytes long.
Data: < a > F0 61 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020E8F0E5670, 16 bytes long.
Data: < a > C8 61 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020E8F0E0920, 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 0x0000020E8F0E5C60, 16 bytes long.
Data: < a > A0 61 0E 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020E8F0E61A0, 992 bytes long.
Data: <`\ > 60 5C 0E 8F 0E 02 00 00 20 09 0E 8F 0E 02 00 00
{92} normal block at 0x0000020E8F0E0560, 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 0x0000020E8F0DF8B0, 16 bytes long.
Data: <p > 70 EE 0C 8F 0E 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000020E8F0CEE70, 40 bytes long.
Data: < ` > B0 F8 0D 8F 0E 02 00 00 60 05 0E 8F 0E 02 00 00
{69} normal block at 0x0000020E8F0E03A0, 16 bytes long.
Data: < v > 80 EA 76 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020E8F0DFB30, 16 bytes long.
Data: <@ v > 40 E9 76 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020E8F0DF590, 16 bytes long.
Data: < Ws > F8 57 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020E8F0DF540, 16 bytes long.
Data: < Ws > D8 57 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020E8F0DF4F0, 16 bytes long.
Data: <P s > 50 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020E8F0DF810, 16 bytes long.
Data: <0 s > 30 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020E8F0DF950, 16 bytes long.
Data: < s > E0 02 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020E8F0DF6D0, 16 bytes long.
Data: < s > 10 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020E8F0DF680, 16 bytes long.
Data: <p s > 70 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020E8F0E0170, 16 bytes long.
Data: < q > 18 C0 71 AA F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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