Task 38681163
| Name | test_172-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND1659_0 |
| Workunit | 31622844 |
| Created | 27 Oct 2026, 2:57:33 UTC |
| Sent | 27 Oct 2026, 2:57:38 UTC |
| Report deadline | 1 Nov 2026, 2:57:38 UTC |
| Received | 27 Oct 2026, 4:03:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 638094 |
| Run time | 22 min 7 sec |
| CPU time | 21 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 41,014.83 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 741.95 MB |
| Peak swap size | 12.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
14:41:56 (26468): wrapper (7.9.26016): starting
14:41:56 (26468): 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
14:41:57 (26468): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:41:57 (26468): 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\34\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\34\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
15:03:11 (26468): C:/Windows/system32/cmd.exe exited; CPU time 1261.953125
15:03:11 (26468): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 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: 23576295 bytes.
Dumping objects ->
{3835652} normal block at 0x000001DBB8FFCB30, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835641} normal block at 0x000001DBB8FFD460, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835630} normal block at 0x000001DBB71D4A90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835619} normal block at 0x000001DBB71D4A20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835608} normal block at 0x000001DBB71D4780, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835577} normal block at 0x000001DBB90488A0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835566} normal block at 0x000001DBB905F210, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835563} normal block at 0x000001DBB71CED60, 8 bytes long.
Data: < n·Û > 00 00 6E B7 DB 01 00 00
{3834735} normal block at 0x000001DBB905E9D0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833971} normal block at 0x000001DBB71CF3F0, 8 bytes long.
Data: < @ ·Û > A0 40 1D B7 DB 01 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000001DBB71D16C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x000001DBB71C6D80, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x000001DBB71D56C0, 16 bytes long.
Data: <Èg ·Û > C8 67 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001DBB71D5F30, 16 bytes long.
Data: < g ·Û > A0 67 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000001DBB71CD530, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x000001DBB71D5D00, 16 bytes long.
Data: <xg ·Û > 78 67 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001DBB71D5DF0, 16 bytes long.
Data: <Pg ·Û > 50 67 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001DBB71D62A0, 16 bytes long.
Data: <(g ·Û > 28 67 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001DBB71D6070, 16 bytes long.
Data: < g ·Û > 00 67 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001DBB71D4D30, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x000001DBB71D6160, 16 bytes long.
Data: <xS ·Û > 78 53 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001DBB71CD650, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x000001DBB71D5D50, 16 bytes long.
Data: <PS ·Û > 50 53 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001DBB71D5C60, 16 bytes long.
Data: <(S ·Û > 28 53 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001DBB71D5B20, 16 bytes long.
Data: < S ·Û > 00 53 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001DBB71D5AD0, 16 bytes long.
Data: <ØR ·Û > D8 52 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001DBB71D6250, 16 bytes long.
Data: <°R ·Û > B0 52 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001DBB71D5760, 16 bytes long.
Data: < R ·Û > 88 52 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001DBB71CDC50, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x000001DBB71D5A30, 16 bytes long.
Data: <`R ·Û > 60 52 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001DBB71D5260, 320 bytes long.
Data: <0Z ·Û PÜ ·Û > 30 5A 1D B7 DB 01 00 00 50 DC 1C B7 DB 01 00 00
{281} normal block at 0x000001DBB71D5DA0, 16 bytes long.
Data: <àf ·Û > E0 66 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001DBB71D5A80, 16 bytes long.
Data: <¸f ·Û > B8 66 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001DBB71CDA70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x000001DBB71D58A0, 16 bytes long.
Data: < f ·Û > 90 66 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001DBB71CDBF0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x000001DBB71D5E90, 16 bytes long.
Data: <Øe ·Û > D8 65 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001DBB71D5CB0, 16 bytes long.
Data: <°e ·Û > B0 65 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001DBB71D5850, 16 bytes long.
Data: < e ·Û > 88 65 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001DBB71D5580, 16 bytes long.
Data: <`e ·Û > 60 65 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001DBB71D5F80, 16 bytes long.
Data: <8e ·Û > 38 65 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001DBB71D6390, 16 bytes long.
Data: < e ·Û > 10 65 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001DBB71D5E40, 16 bytes long.
Data: <pK ·Û > 70 4B 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001DBB71D4B70, 40 bytes long.
Data: <@^ ·Û   ¹Û > 40 5E 1D B7 DB 01 00 00 A0 88 04 B9 DB 01 00 00
{267} normal block at 0x000001DBB71D5710, 16 bytes long.
Data: <ðd ·Û > F0 64 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001DBB71D5B70, 16 bytes long.
Data: <Èd ·Û > C8 64 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001DBB71CD710, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x000001DBB71D6110, 16 bytes long.
Data: < d ·Û > A0 64 1D B7 DB 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001DBB71D64A0, 992 bytes long.
Data: < a ·Û × ·Û > 10 61 1D B7 DB 01 00 00 10 D7 1C B7 DB 01 00 00
{99} normal block at 0x000001DBB71CD350, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x000001DBB71CF990, 16 bytes long.
Data: < æ ·Û > 90 E6 1B B7 DB 01 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x000001DBB71BE690, 40 bytes long.
Data: < ù ·Û PÓ ·Û > 90 F9 1C B7 DB 01 00 00 50 D3 1C B7 DB 01 00 00
{76} normal block at 0x000001DBB71CF0D0, 16 bytes long.
Data: < ê ÷ > 80 EA 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x000001DBB71CF2B0, 16 bytes long.
Data: <@é ÷ > 40 E9 13 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x000001DBB71CEEF0, 16 bytes long.
Data: <øW ÷ > F8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x000001DBB71CF4E0, 16 bytes long.
Data: <ØW ÷ > D8 57 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000001DBB71CF490, 16 bytes long.
Data: <P ÷ > 50 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001DBB71CF300, 16 bytes long.
Data: <0 ÷ > 30 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001DBB71CEEA0, 16 bytes long.
Data: <à ÷ > E0 02 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001DBB71CEBD0, 16 bytes long.
Data: < ÷ > 10 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001DBB71CF5D0, 16 bytes long.
Data: <p ÷ > 70 04 10 80 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001DBB71CF9E0, 16 bytes long.
Data: < À ÷ > 18 C0 0E 80 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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