Task 38686930
| Name | test_111-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND4126_0 |
| Workunit | 31628339 |
| Created | 28 Oct 2026, 5:08:35 UTC |
| Sent | 28 Oct 2026, 5:08:35 UTC |
| Report deadline | 2 Nov 2026, 5:08:35 UTC |
| Received | 28 Oct 2026, 6:06:29 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653248 |
| Run time | 37 min 7 sec |
| CPU time | 35 min 17 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 19,933.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 723.18 MB |
| Peak swap size | 6.88 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:20:45 (24040): wrapper (7.9.26016): starting
01:20:45 (24040): 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
01:20:46 (24040): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:20:46 (24040): 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\7\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\7\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
01:56:28 (24040): C:/Windows/system32/cmd.exe exited; CPU time 2117.765625
01:56:28 (24040): 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: 36631193 bytes.
Dumping objects ->
{3835185} normal block at 0x000002D6AEDF4990, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835174} normal block at 0x000002D6AEDF4ED0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835163} normal block at 0x000002D6AEDF4D80, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835152} normal block at 0x000002D6AEDF4E60, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835141} normal block at 0x000002D6AEDF4920, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835110} normal block at 0x000002D6B0B58A40, 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) : {3835097} normal block at 0x000002D6AEDF0A00, 8 bytes long.
Data: < .¯Ö > 00 00 2E AF D6 02 00 00
{3833953} normal block at 0x000002D6AEDF09B0, 8 bytes long.
Data: <pJ¾°Ö > 70 4A BE B0 D6 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000002D6AEDEE8F0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002D6AEDE5DA0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x000002D6AEDF57A0, 16 bytes long.
Data: <Èfß®Ö > C8 66 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002D6AEDF6290, 16 bytes long.
Data: < fß®Ö > A0 66 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002D6AEDEF520, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x000002D6AEDF55C0, 16 bytes long.
Data: <xfß®Ö > 78 66 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000002D6AEDF5660, 16 bytes long.
Data: <Pfß®Ö > 50 66 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002D6AEDF60B0, 16 bytes long.
Data: <(fß®Ö > 28 66 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002D6AEDF5C50, 16 bytes long.
Data: < fß®Ö > 00 66 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002D6AEDF4A70, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x000002D6AEDF5E80, 16 bytes long.
Data: <h´Ý®Ö > 68 B4 DD AE D6 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002D6AEDEF580, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x000002D6AEDF5480, 16 bytes long.
Data: <@´Ý®Ö > 40 B4 DD AE D6 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002D6AEDF5430, 16 bytes long.
Data: < ´Ý®Ö > 18 B4 DD AE D6 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002D6AEDF61F0, 16 bytes long.
Data: <ð³Ý®Ö > F0 B3 DD AE D6 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002D6AEDF5570, 16 bytes long.
Data: <È³Ý®Ö > C8 B3 DD AE D6 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002D6AEDF6150, 16 bytes long.
Data: < ³Ý®Ö > A0 B3 DD AE D6 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002D6AEDF62E0, 16 bytes long.
Data: <x³Ý®Ö > 78 B3 DD AE D6 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002D6AEDEF460, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x000002D6AEDF5D90, 16 bytes long.
Data: <P³Ý®Ö > 50 B3 DD AE D6 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002D6AEDDB350, 320 bytes long.
Data: < ]ß®Ö `ôÞ®Ö > 90 5D DF AE D6 02 00 00 60 F4 DE AE D6 02 00 00
{272} normal block at 0x000002D6AEDF5C00, 16 bytes long.
Data: <àeß®Ö > E0 65 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002D6AEDF6100, 16 bytes long.
Data: <¸eß®Ö > B8 65 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002D6AEDEF8E0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x000002D6AEDF53E0, 16 bytes long.
Data: < eß®Ö > 90 65 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002D6AEDEFE80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x000002D6AEDF5CF0, 16 bytes long.
Data: <Ødß®Ö > D8 64 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002D6AEDF5E30, 16 bytes long.
Data: <°dß®Ö > B0 64 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002D6AEDF5520, 16 bytes long.
Data: < dß®Ö > 88 64 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002D6AEDF6060, 16 bytes long.
Data: <`dß®Ö > 60 64 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002D6AEDF5D40, 16 bytes long.
Data: <8dß®Ö > 38 64 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002D6AEDF6010, 16 bytes long.
Data: < dß®Ö > 10 64 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002D6AEDF6330, 16 bytes long.
Data: < Jß®Ö > 00 4A DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002D6AEDF4A00, 40 bytes long.
Data: <0cß®Ö @Šµ°Ö > 30 63 DF AE D6 02 00 00 40 8A B5 B0 D6 02 00 00
{258} normal block at 0x000002D6AEDF54D0, 16 bytes long.
Data: <ðcß®Ö > F0 63 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000002D6AEDF61A0, 16 bytes long.
Data: <Ècß®Ö > C8 63 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002D6AEDEF400, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x000002D6AEDF5FC0, 16 bytes long.
Data: < cß®Ö > A0 63 DF AE D6 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x000002D6AEDF63A0, 992 bytes long.
Data: <À_ß®Ö ôÞ®Ö > C0 5F DF AE D6 02 00 00 00 F4 DE AE D6 02 00 00
{90} normal block at 0x000002D6AEDF0300, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x000002D6AEDF05A0, 16 bytes long.
Data: <Ð×Ý®Ö > D0 D7 DD AE D6 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x000002D6AEDDD7D0, 40 bytes long.
Data: <  ß®Ö ß®Ö > A0 05 DF AE D6 02 00 00 00 03 DF AE D6 02 00 00
{67} normal block at 0x000002D6AEDF0460, 16 bytes long.
Data: < ê¦ ö > 80 EA A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002D6AEDF0DC0, 16 bytes long.
Data: <@é¦ ö > 40 E9 A6 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002D6AEDF0410, 16 bytes long.
Data: <øW£ ö > F8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002D6AEDF0870, 16 bytes long.
Data: <ØW£ ö > D8 57 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002D6AEDF0690, 16 bytes long.
Data: <P £ ö > 50 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002D6AEDF0EB0, 16 bytes long.
Data: <0 £ ö > 30 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002D6AEDF0E60, 16 bytes long.
Data: <à £ ö > E0 02 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002D6AEDF0910, 16 bytes long.
Data: < £ ö > 10 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002D6AEDF0A50, 16 bytes long.
Data: <p £ ö > 70 04 A3 9D F6 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002D6AEDF06E0, 16 bytes long.
Data: < À¡ ö > 18 C0 A1 9D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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