Task 38677618
| Name | test_364-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND4325_0 |
| Workunit | 31619484 |
| Created | 26 Oct 2026, 14:52:51 UTC |
| Sent | 26 Oct 2026, 14:52:59 UTC |
| Report deadline | 31 Oct 2026, 14:52:59 UTC |
| Received | 26 Oct 2026, 16:33:50 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648712 |
| Run time | 47 min 32 sec |
| CPU time | 47 min 20 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 6,710.17 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 642.30 MB |
| Peak swap size | 6.76 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
23:45:39 (8888): wrapper (7.9.26016): starting
23:45:39 (8888): 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
23:45:40 (8888): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:45:40 (8888): 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
00:32:20 (8888): C:/Windows/system32/cmd.exe exited; CPU time 2840.203125
00:32:20 (8888): 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: 44499603 bytes.
Dumping objects ->
{3835255} normal block at 0x000002C787D50840, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835244} normal block at 0x000002C787D50FB0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835233} normal block at 0x000002C787D50D80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835222} normal block at 0x000002C787D50ED0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835211} normal block at 0x000002C787D51330, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835180} normal block at 0x000002C787E62800, 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) : {3835167} normal block at 0x000002C784738C40, 8 bytes long.
Data: < > 00 00 1C 86 C7 02 00 00
{3834025} normal block at 0x000002C784738650, 8 bytes long.
Data: <` > 60 EB 80 84 C7 02 00 00
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002C784736B50, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002C784731760, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{288} normal block at 0x000002C784738D80, 16 bytes long.
Data: <8}s > 38 7D 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002C784738A10, 16 bytes long.
Data: < }s > 10 7D 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002C7847324B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{285} normal block at 0x000002C7847386F0, 16 bytes long.
Data: < |s > E8 7C 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002C784738970, 16 bytes long.
Data: < |s > C0 7C 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002C784738790, 16 bytes long.
Data: < |s > 98 7C 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002C7847386A0, 16 bytes long.
Data: <p|s > 70 7C 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002C784730B60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{280} normal block at 0x000002C784738010, 16 bytes long.
Data: < s > F8 16 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002C784731DF0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{278} normal block at 0x000002C784734350, 16 bytes long.
Data: < s > D0 16 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002C784733D60, 16 bytes long.
Data: < s > A8 16 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002C784733D10, 16 bytes long.
Data: < s > 80 16 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002C784734170, 16 bytes long.
Data: <X s > 58 16 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002C784733BD0, 16 bytes long.
Data: <0 s > 30 16 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002C784733A40, 16 bytes long.
Data: < s > 08 16 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002C784732210, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{270} normal block at 0x000002C784733CC0, 16 bytes long.
Data: < s > E0 15 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002C7847315E0, 320 bytes long.
Data: < <s "s > C0 3C 73 84 C7 02 00 00 10 22 73 84 C7 02 00 00
{268} normal block at 0x000002C784734710, 16 bytes long.
Data: <P|s > 50 7C 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002C7847340D0, 16 bytes long.
Data: <(|s > 28 7C 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002C7847323F0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{265} normal block at 0x000002C784734080, 16 bytes long.
Data: < |s > 00 7C 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002C784731BB0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{263} normal block at 0x000002C784733EA0, 16 bytes long.
Data: <H{s > 48 7B 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002C784733B80, 16 bytes long.
Data: < {s > 20 7B 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002C7847347B0, 16 bytes long.
Data: < zs > F8 7A 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002C784734760, 16 bytes long.
Data: < zs > D0 7A 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002C784733E50, 16 bytes long.
Data: < zs > A8 7A 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002C7847344E0, 16 bytes long.
Data: < zs > 80 7A 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002C7847343F0, 16 bytes long.
Data: < s > 80 0A 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002C784730A80, 40 bytes long.
Data: < Cs ( > F0 43 73 84 C7 02 00 00 00 28 E6 87 C7 02 00 00
{254} normal block at 0x000002C784733E00, 16 bytes long.
Data: <`zs > 60 7A 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002C784733DB0, 16 bytes long.
Data: <8zs > 38 7A 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x000002C784732450, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{251} normal block at 0x000002C7847343A0, 16 bytes long.
Data: < zs > 10 7A 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{250} normal block at 0x000002C784737A10, 992 bytes long.
Data: < Cs P$s > A0 43 73 84 C7 02 00 00 50 24 73 84 C7 02 00 00
{86} normal block at 0x000002C7847320F0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{85} normal block at 0x000002C7847339A0, 16 bytes long.
Data: < s > C0 08 73 84 C7 02 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000002C7847308C0, 40 bytes long.
Data: < 9s s > A0 39 73 84 C7 02 00 00 F0 20 73 84 C7 02 00 00
{61} normal block at 0x000002C784733950, 16 bytes long.
Data: < 4 > 80 EA 34 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002C784734440, 16 bytes long.
Data: <@ 4 > 40 E9 34 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002C784734030, 16 bytes long.
Data: < W1 > F8 57 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002C784733EF0, 16 bytes long.
Data: < W1 > D8 57 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002C784733FE0, 16 bytes long.
Data: <P 1 > 50 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002C7847341C0, 16 bytes long.
Data: <0 1 > 30 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002C784733F90, 16 bytes long.
Data: < 1 > E0 02 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{54} normal block at 0x000002C784734850, 16 bytes long.
Data: < 1 > 10 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{53} normal block at 0x000002C784734800, 16 bytes long.
Data: <p 1 > 70 04 31 A9 F7 7F 00 00 00 00 00 00 00 00 00 00
{52} normal block at 0x000002C784733F40, 16 bytes long.
Data: < / > 18 C0 2F A9 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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