Task 38686819
| Name | test_989-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6001_0 |
| Workunit | 31628230 |
| Created | 28 Oct 2026, 4:32:56 UTC |
| Sent | 28 Oct 2026, 4:33:03 UTC |
| Report deadline | 2 Nov 2026, 4:33:03 UTC |
| Received | 28 Oct 2026, 6:53:28 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652326 |
| Run time | 1 hours 53 min 28 sec |
| CPU time | 1 hours 51 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 33,165.87 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 728.08 MB |
| Peak swap size | 13.00 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:00:24 (32828): wrapper (7.9.26016): starting
14:00:24 (32828): 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
14:00:25 (32828): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:00:25 (32828): 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\2\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\2\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
15:52:47 (32828): C:/Windows/system32/cmd.exe exited; CPU time 6681.484375
15:52:47 (32828): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 129044591 bytes.
Dumping objects ->
{3835342} normal block at 0x000002093C90CF80, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835331} normal block at 0x000002093A8347D0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835320} normal block at 0x000002093A8346F0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835309} normal block at 0x000002093A834610, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835298} normal block at 0x000002093A834760, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835267} normal block at 0x000002093C956310, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835256} normal block at 0x000002093A88A4F0, 140 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) : {3835253} normal block at 0x000002093A82E5D0, 8 bytes long.
Data: < : > 00 00 D4 3A 09 02 00 00
{3834654} normal block at 0x000002093A88ADE0, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3834069} normal block at 0x000002093A82E580, 8 bytes long.
Data: <P : > 50 EB 90 3A 09 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002093A8306E0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000002093A81F2D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x000002093A835490, 16 bytes long.
Data: <he : > 68 65 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000002093A835C10, 16 bytes long.
Data: <@e : > 40 65 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002093A82F590, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x000002093A8352B0, 16 bytes long.
Data: < e : > 18 65 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000002093A835B20, 16 bytes long.
Data: < d : > F0 64 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002093A835260, 16 bytes long.
Data: < d : > C8 64 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002093A835760, 16 bytes long.
Data: < d : > A0 64 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002093A8344C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x000002093A835670, 16 bytes long.
Data: < : > A8 8B 82 3A 09 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002093A82F890, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x000002093A835BC0, 16 bytes long.
Data: < : > 80 8B 82 3A 09 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002093A835B70, 16 bytes long.
Data: <X : > 58 8B 82 3A 09 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002093A8355D0, 16 bytes long.
Data: <0 : > 30 8B 82 3A 09 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002093A835210, 16 bytes long.
Data: < : > 08 8B 82 3A 09 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002093A835620, 16 bytes long.
Data: < : > E0 8A 82 3A 09 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002093A8356C0, 16 bytes long.
Data: < : > B8 8A 82 3A 09 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002093A82F830, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x000002093A835AD0, 16 bytes long.
Data: < : > 90 8A 82 3A 09 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000002093A828A90, 320 bytes long.
Data: < Z : 0 : > D0 5A 83 3A 09 02 00 00 30 F8 82 3A 09 02 00 00
{279} normal block at 0x000002093A835120, 16 bytes long.
Data: < d : > 80 64 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002093A835E90, 16 bytes long.
Data: <Xd : > 58 64 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002093A82FDD0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x000002093A835A80, 16 bytes long.
Data: <0d : > 30 64 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002093A82FF50, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x000002093A835D00, 16 bytes long.
Data: <xc : > 78 63 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000002093A835A30, 16 bytes long.
Data: <Pc : > 50 63 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002093A835440, 16 bytes long.
Data: <(c : > 28 63 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002093A835850, 16 bytes long.
Data: < c : > 00 63 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002093A835990, 16 bytes long.
Data: < b : > D8 62 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002093A835DF0, 16 bytes long.
Data: < b : > B0 62 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002093A8350D0, 16 bytes long.
Data: < F : > 80 46 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002093A834680, 40 bytes long.
Data: < P : c < > D0 50 83 3A 09 02 00 00 10 63 95 3C 09 02 00 00
{265} normal block at 0x000002093A8351C0, 16 bytes long.
Data: < b : > 90 62 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002093A836020, 16 bytes long.
Data: <hb : > 68 62 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002093A82FCB0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x000002093A8358A0, 16 bytes long.
Data: <@b : > 40 62 83 3A 09 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002093A836240, 992 bytes long.
Data: < X : : > A0 58 83 3A 09 02 00 00 B0 FC 82 3A 09 02 00 00
{97} normal block at 0x000002093A82FBF0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x000002093A82F4D0, 16 bytes long.
Data: <@ : > 40 B6 81 3A 09 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002093A81B640, 40 bytes long.
Data: < : : > D0 F4 82 3A 09 02 00 00 F0 FB 82 3A 09 02 00 00
{72} normal block at 0x000002093A82E710, 16 bytes long.
Data: < S > 80 EA 86 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002093A82E8F0, 16 bytes long.
Data: <@ S > 40 E9 86 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002093A82ED50, 16 bytes long.
Data: < W S > F8 57 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002093A82ECB0, 16 bytes long.
Data: < W S > D8 57 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002093A82EB70, 16 bytes long.
Data: <P S > 50 04 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002093A82EE90, 16 bytes long.
Data: <0 S > 30 04 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002093A82F200, 16 bytes long.
Data: < S > E0 02 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002093A82F3E0, 16 bytes long.
Data: < S > 10 04 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002093A82F0C0, 16 bytes long.
Data: <p S > 70 04 83 53 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002093A82EDA0, 16 bytes long.
Data: < S > 18 C0 81 53 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2026 Universitat Pompeu Fabra