Task 38687479
| Name | test_154-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND5883_0 |
| Workunit | 31628869 |
| Created | 28 Oct 2026, 8:01:51 UTC |
| Sent | 28 Oct 2026, 8:02:01 UTC |
| Report deadline | 2 Nov 2026, 8:02:01 UTC |
| Received | 28 Oct 2026, 8:51:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652326 |
| Run time | 24 min 37 sec |
| CPU time | 22 min 42 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 | 730.80 MB |
| Peak swap size | 12.99 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
17:27:26 (3764): wrapper (7.9.26016): starting
17:27:26 (3764): 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
17:27:27 (3764): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:27:27 (3764): 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: Exiting with failure status due to previous errors
17:51:04 (3764): C:/Windows/system32/cmd.exe exited; CPU time 1362.140625
17:51:04 (3764): 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: 28593131 bytes.
Dumping objects ->
{3835342} normal block at 0x000001D26263CFF0, 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 0x000001D2605C4770, 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 0x000001D2605C4CB0, 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 0x000001D2605C4A80, 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 0x000001D2605C4930, 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 0x000001D262683A80, 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 0x000001D26061A7F0, 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 0x000001D2605BF360, 8 bytes long.
Data: < V` > 00 00 56 60 D2 01 00 00
{3834654} normal block at 0x000001D26061B830, 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 0x000001D2605BF310, 8 bytes long.
Data: < ^` > D0 A8 5E 60 D2 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001D2605C0700, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x000001D2605B60D0, 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 0x000001D2605C6090, 16 bytes long.
Data: < f\` > C8 66 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D2605C5C30, 16 bytes long.
Data: < f\` > A0 66 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D2605BF7B0, 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 0x000001D2605C5870, 16 bytes long.
Data: <xf\` > 78 66 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D2605C59B0, 16 bytes long.
Data: <Pf\` > 50 66 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D2605C5910, 16 bytes long.
Data: <(f\` > 28 66 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D2605C56E0, 16 bytes long.
Data: < f\` > 00 66 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001D2605C4850, 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 0x000001D2605C55F0, 16 bytes long.
Data: < [` > E8 8F 5B 60 D2 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001D2605C05F0, 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 0x000001D2605C5E60, 16 bytes long.
Data: < [` > C0 8F 5B 60 D2 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001D2605C5640, 16 bytes long.
Data: < [` > 98 8F 5B 60 D2 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D2605C57D0, 16 bytes long.
Data: <p [` > 70 8F 5B 60 D2 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001D2605C5230, 16 bytes long.
Data: <H [` > 48 8F 5B 60 D2 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D2605C5550, 16 bytes long.
Data: < [` > 20 8F 5B 60 D2 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D2605C5F50, 16 bytes long.
Data: < [` > F8 8E 5B 60 D2 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D2605BF870, 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 0x000001D2605C5960, 16 bytes long.
Data: < [` > D0 8E 5B 60 D2 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D2605B8ED0, 320 bytes long.
Data: <`Y\` p [` > 60 59 5C 60 D2 01 00 00 70 F8 5B 60 D2 01 00 00
{279} normal block at 0x000001D2605C6040, 16 bytes long.
Data: < e\` > E0 65 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D2605C5370, 16 bytes long.
Data: < e\` > B8 65 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D2605BFF90, 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 0x000001D2605C5E10, 16 bytes long.
Data: < e\` > 90 65 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D2605C0590, 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 0x000001D2605C5DC0, 16 bytes long.
Data: < d\` > D8 64 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001D2605C5AA0, 16 bytes long.
Data: < d\` > B0 64 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D2605C5FA0, 16 bytes long.
Data: < d\` > 88 64 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001D2605C5A00, 16 bytes long.
Data: <`d\` > 60 64 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001D2605C55A0, 16 bytes long.
Data: <8d\` > 38 64 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001D2605C5280, 16 bytes long.
Data: < d\` > 10 64 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001D2605C6180, 16 bytes long.
Data: < K\` > D0 4B 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001D2605C4BD0, 40 bytes long.
Data: < a\` :hb > 80 61 5C 60 D2 01 00 00 80 3A 68 62 D2 01 00 00
{265} normal block at 0x000001D2605C5500, 16 bytes long.
Data: < c\` > F0 63 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001D2605C5F00, 16 bytes long.
Data: < c\` > C8 63 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001D2605C0350, 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 0x000001D2605C5A50, 16 bytes long.
Data: < c\` > A0 63 5C 60 D2 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001D2605C63A0, 992 bytes long.
Data: <PZ\` P \` > 50 5A 5C 60 D2 01 00 00 50 03 5C 60 D2 01 00 00
{97} normal block at 0x000001D2605BFBD0, 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 0x000001D2605BE730, 16 bytes long.
Data: < Z` > 90 E4 5A 60 D2 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000001D2605AE490, 40 bytes long.
Data: <0 [` [` > 30 E7 5B 60 D2 01 00 00 D0 FB 5B 60 D2 01 00 00
{72} normal block at 0x000001D2605BF590, 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 0x000001D2605BF400, 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 0x000001D2605BEC80, 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 0x000001D2605BEB90, 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 0x000001D2605BED70, 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 0x000001D2605BEF50, 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 0x000001D2605BEFF0, 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 0x000001D2605BEB40, 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 0x000001D2605BE6E0, 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 0x000001D2605BEFA0, 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>
]]>
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