Task 38686820
| Name | test_757-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND7794_0 |
| Workunit | 31628231 |
| 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, 4:59:47 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652326 |
| Run time | 25 min 40 sec |
| CPU time | 23 min 41 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 | 728.73 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>
13:34:22 (16928): wrapper (7.9.26016): starting
13:34:22 (16928): 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
13:34:24 (16928): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:34:24 (16928): 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
13:59:09 (16928): C:/Windows/system32/cmd.exe exited; CPU time 1421.781250
13:59:09 (16928): 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: 29398601 bytes.
Dumping objects ->
{3835342} normal block at 0x0000024894A5DAB0, 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 0x0000024892965B60, 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 0x0000024892965BD0, 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 0x0000024892965850, 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 0x0000024892965A80, 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 0x0000024894AA8A40, 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 0x00000248929BC7A0, 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 0x000002489295FDC0, 8 bytes long.
Data: < H > 00 00 E3 92 48 02 00 00
{3834654} normal block at 0x00000248929BB350, 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 0x000002489295FF00, 8 bytes long.
Data: <@O H > 40 4F 96 92 48 02 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000024892961430, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000248929566F0, 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 0x0000024892966260, 16 bytes long.
Data: <hu H > 68 75 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024892966710, 16 bytes long.
Data: <@u H > 40 75 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000024892960840, 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 0x0000024892966BC0, 16 bytes long.
Data: < u H > 18 75 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000248929669E0, 16 bytes long.
Data: < t H > F0 74 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000024892966940, 16 bytes long.
Data: < t H > C8 74 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024892966670, 16 bytes long.
Data: < t H > A0 74 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024892965D20, 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 0x0000024892966990, 16 bytes long.
Data: <xV H > 78 56 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024892960420, 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 0x0000024892966620, 16 bytes long.
Data: <PV H > 50 56 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000248929665D0, 16 bytes long.
Data: <(V H > 28 56 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000024892966120, 16 bytes long.
Data: < V H > 00 56 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024892966AD0, 16 bytes long.
Data: < U H > D8 55 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000248929663F0, 16 bytes long.
Data: < U H > B0 55 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024892966210, 16 bytes long.
Data: < U H > 88 55 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024892960F00, 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 0x00000248929661C0, 16 bytes long.
Data: <`U H > 60 55 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024892965560, 320 bytes long.
Data: < a H H > C0 61 96 92 48 02 00 00 00 0F 96 92 48 02 00 00
{279} normal block at 0x0000024892966490, 16 bytes long.
Data: < t H > 80 74 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024892966DA0, 16 bytes long.
Data: <Xt H > 58 74 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000024892960C00, 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 0x0000024892966C60, 16 bytes long.
Data: <0t H > 30 74 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000248929602A0, 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 0x00000248929667B0, 16 bytes long.
Data: <xs H > 78 73 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024892966530, 16 bytes long.
Data: <Ps H > 50 73 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000024892966B20, 16 bytes long.
Data: <(s H > 28 73 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024892966760, 16 bytes long.
Data: < s H > 00 73 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024892966350, 16 bytes long.
Data: < r H > D8 72 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000248929664E0, 16 bytes long.
Data: < r H > B0 72 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024892966C10, 16 bytes long.
Data: < W H > E0 57 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000248929657E0, 40 bytes long.
Data: < l H @ H > 10 6C 96 92 48 02 00 00 40 8A AA 94 48 02 00 00
{265} normal block at 0x0000024892966300, 16 bytes long.
Data: < r H > 90 72 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024892966D00, 16 bytes long.
Data: <hr H > 68 72 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000024892960600, 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 0x0000024892966800, 16 bytes long.
Data: <@r H > 40 72 96 92 48 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024892967240, 992 bytes long.
Data: < h H H > 00 68 96 92 48 02 00 00 00 06 96 92 48 02 00 00
{97} normal block at 0x0000024892960300, 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 0x000002489295F960, 16 bytes long.
Data: < H > C0 C1 94 92 48 02 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x000002489294C1C0, 40 bytes long.
Data: <` H H > 60 F9 95 92 48 02 00 00 00 03 96 92 48 02 00 00
{72} normal block at 0x000002489295FD70, 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 0x000002489295F500, 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 0x000002489295F0F0, 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 0x000002489295F4B0, 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 0x000002489295F1E0, 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 0x000002489295F280, 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 0x000002489295F410, 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 0x000002489295FA50, 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 0x000002489295FEB0, 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 0x000002489295FF50, 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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