Task 38653393
| Name | test_621-GPUGRID_TEST_ATM_40STEP_20261023-1-40-RND1906_0 |
| Workunit | 31597358 |
| Created | 24 Oct 2026, 5:31:33 UTC |
| Sent | 24 Oct 2026, 5:41:13 UTC |
| Report deadline | 29 Oct 2026, 5:41:13 UTC |
| Received | 24 Oct 2026, 15:51:00 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648901 |
| Run time | 30 min 45 sec |
| CPU time | 28 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,670.50 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 706.88 MB |
| Peak swap size | 8.42 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
09:21:18 (4932): wrapper (7.9.26016): starting
09:21:18 (4932): 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
09:21:19 (4932): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:21:19 (4932): 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\11\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\11\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
09:50:42 (4932): C:/Windows/system32/cmd.exe exited; CPU time 1700.500000
09:50:42 (4932): 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: 33847507 bytes.
Dumping objects ->
{3835198} normal block at 0x0000026629C2AC80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835187} normal block at 0x0000026629C2B1C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835176} normal block at 0x0000026629C2A4A0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835165} normal block at 0x0000026627DD5090, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835154} normal block at 0x0000026627DD5410, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835123} normal block at 0x0000026629C1B040, 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) : {3835110} normal block at 0x0000026627DCD8A0, 8 bytes long.
Data: < J(f > 00 00 4A 28 66 02 00 00
{3833959} normal block at 0x0000026627DCE160, 8 bytes long.
Data: <@GÝ'f > 40 47 DD 27 66 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000026627DD1340, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000026627DC6900, 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 0x0000026627DD6B70, 16 bytes long.
Data: <h\Ý'f > 68 5C DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000026627DD6710, 16 bytes long.
Data: <@\Ý'f > 40 5C DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026627DCFA70, 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 0x0000026627DD6580, 16 bytes long.
Data: < \Ý'f > 18 5C DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000026627DD61C0, 16 bytes long.
Data: <ð[Ý'f > F0 5B DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026627DD6530, 16 bytes long.
Data: <È[Ý'f > C8 5B DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026627DD6120, 16 bytes long.
Data: < [Ý'f > A0 5B DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026627DD5480, 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 0x0000026627DD6030, 16 bytes long.
Data: <ØöÛ'f > D8 F6 DB 27 66 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000026627DCFB90, 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 0x0000026627DD5E50, 16 bytes long.
Data: <°öÛ'f > B0 F6 DB 27 66 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000026627DD6CB0, 16 bytes long.
Data: < öÛ'f > 88 F6 DB 27 66 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026627DD6760, 16 bytes long.
Data: <`öÛ'f > 60 F6 DB 27 66 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026627DD6BC0, 16 bytes long.
Data: <8öÛ'f > 38 F6 DB 27 66 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026627DD6A80, 16 bytes long.
Data: < öÛ'f > 10 F6 DB 27 66 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026627DD6C60, 16 bytes long.
Data: <èõÛ'f > E8 F5 DB 27 66 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026627DCF470, 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 0x0000026627DD69E0, 16 bytes long.
Data: <ÀõÛ'f > C0 F5 DB 27 66 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000026627DBF5C0, 320 bytes long.
Data: <àiÝ'f pôÜ'f > E0 69 DD 27 66 02 00 00 70 F4 DC 27 66 02 00 00
{275} normal block at 0x0000026627DD6850, 16 bytes long.
Data: < [Ý'f > 80 5B DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000026627DD65D0, 16 bytes long.
Data: <X[Ý'f > 58 5B DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026627DD0190, 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 0x0000026627DD6490, 16 bytes long.
Data: <0[Ý'f > 30 5B DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000026627DCFF50, 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 0x0000026627DD6800, 16 bytes long.
Data: <xZÝ'f > 78 5A DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000026627DD6C10, 16 bytes long.
Data: <PZÝ'f > 50 5A DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026627DD6B20, 16 bytes long.
Data: <(ZÝ'f > 28 5A DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026627DD6300, 16 bytes long.
Data: < ZÝ'f > 00 5A DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026627DD6170, 16 bytes long.
Data: <ØYÝ'f > D8 59 DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026627DCDD00, 16 bytes long.
Data: <°YÝ'f > B0 59 DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000026627DCDCB0, 16 bytes long.
Data: <ðMÝ'f > F0 4D DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026627DD4DF0, 40 bytes long.
Data: <°ÜÜ'f @°Á)f > B0 DC DC 27 66 02 00 00 40 B0 C1 29 66 02 00 00
{261} normal block at 0x0000026627DCDC10, 16 bytes long.
Data: < YÝ'f > 90 59 DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000026627DCDA80, 16 bytes long.
Data: <hYÝ'f > 68 59 DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026627DCF3B0, 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 0x0000026627DCE2A0, 16 bytes long.
Data: <@YÝ'f > 40 59 DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000026627DD5940, 992 bytes long.
Data: < âÜ'f °óÜ'f > A0 E2 DC 27 66 02 00 00 B0 F3 DC 27 66 02 00 00
{93} normal block at 0x0000026627DCF890, 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 0x0000026627DCD620, 16 bytes long.
Data: < QÝ'f > 00 51 DD 27 66 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x0000026627DD5100, 40 bytes long.
Data: < ÖÜ'f øÜ'f > 20 D6 DC 27 66 02 00 00 90 F8 DC 27 66 02 00 00
{70} normal block at 0x0000026627DCE0C0, 16 bytes long.
Data: < ê =÷ > 80 EA 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000026627DCE020, 16 bytes long.
Data: <@é =÷ > 40 E9 8D 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026627DCD7B0, 16 bytes long.
Data: <øWŠ=÷ > F8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026627DCDE40, 16 bytes long.
Data: <ØWŠ=÷ > D8 57 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026627DCD850, 16 bytes long.
Data: <P Š=÷ > 50 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026627DCDF80, 16 bytes long.
Data: <0 Š=÷ > 30 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026627DCD670, 16 bytes long.
Data: <à Š=÷ > E0 02 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026627DCDA30, 16 bytes long.
Data: < Š=÷ > 10 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026627DCD5D0, 16 bytes long.
Data: <p Š=÷ > 70 04 8A 3D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026627DCD580, 16 bytes long.
Data: < À =÷ > 18 C0 88 3D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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