Task 38686482
| Name | test_20-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND3950_0 |
| Workunit | 31627914 |
| Created | 28 Oct 2026, 2:48:42 UTC |
| Sent | 28 Oct 2026, 2:48:45 UTC |
| Report deadline | 2 Nov 2026, 2:48:45 UTC |
| Received | 28 Oct 2026, 4:05:44 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652326 |
| Run time | 26 min 39 sec |
| CPU time | 24 min 54 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 | 732.88 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>
12:39:31 (36512): wrapper (7.9.26016): starting
12:39:31 (36512): 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
12:39:32 (36512): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:39:32 (36512): 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
13:05:04 (36512): C:/Windows/system32/cmd.exe exited; CPU time 1494.453125
13:05:04 (36512): 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: 30197763 bytes.
Dumping objects ->
{3835342} normal block at 0x00000180AA61A570, 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 0x00000180AA5F4740, 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 0x00000180AA5F46D0, 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 0x00000180AA5F4890, 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 0x00000180AA5F4660, 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 0x00000180AC60A100, 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 0x00000180AA64C360, 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 0x00000180AA5EEEA0, 8 bytes long.
Data: < [ > 00 00 5B AA 80 01 00 00
{3834654} normal block at 0x00000180AA64B4C0, 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 0x00000180AA5EF210, 8 bytes long.
Data: < Af > B0 41 66 AC 80 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000180AA5F1000, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000180AA5E6740, 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 0x00000180AA5F6110, 16 bytes long.
Data: <8h_ > 38 68 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000180AA5F5A30, 16 bytes long.
Data: < h_ > 10 68 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000180AA5F0270, 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 0x00000180AA5F5990, 16 bytes long.
Data: < g_ > E8 67 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000180AA5F62A0, 16 bytes long.
Data: < g_ > C0 67 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000180AA5F5710, 16 bytes long.
Data: < g_ > 98 67 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000180AA5F5940, 16 bytes long.
Data: <pg_ > 70 67 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000180AA5F4BA0, 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 0x00000180AA5F5440, 16 bytes long.
Data: < ] > B8 B5 5D AA 80 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000180AA5EF850, 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 0x00000180AA5F53A0, 16 bytes long.
Data: < ] > 90 B5 5D AA 80 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000180AA5F6250, 16 bytes long.
Data: <h ] > 68 B5 5D AA 80 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000180AA5F5EE0, 16 bytes long.
Data: <@ ] > 40 B5 5D AA 80 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000180AA5F5E90, 16 bytes long.
Data: < ] > 18 B5 5D AA 80 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000180AA5F6200, 16 bytes long.
Data: < ] > F0 B4 5D AA 80 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000180AA5F5530, 16 bytes long.
Data: < ] > C8 B4 5D AA 80 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000180AA5F03F0, 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 0x00000180AA5F6020, 16 bytes long.
Data: < ] > A0 B4 5D AA 80 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000180AA5DB4A0, 320 bytes long.
Data: < `_ _ > 20 60 5F AA 80 01 00 00 F0 03 5F AA 80 01 00 00
{279} normal block at 0x00000180AA5F60C0, 16 bytes long.
Data: <Pg_ > 50 67 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000180AA5F5E40, 16 bytes long.
Data: <(g_ > 28 67 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000180AA5F01B0, 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 0x00000180AA5F5DF0, 16 bytes long.
Data: < g_ > 00 67 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000180AA5EF7F0, 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 0x00000180AA5F5D50, 16 bytes long.
Data: <Hf_ > 48 66 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000180AA5F5620, 16 bytes long.
Data: < f_ > 20 66 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000180AA5F6070, 16 bytes long.
Data: < e_ > F8 65 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000180AA5F5DA0, 16 bytes long.
Data: < e_ > D0 65 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000180AA5F59E0, 16 bytes long.
Data: < e_ > A8 65 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000180AA5F5FD0, 16 bytes long.
Data: < e_ > 80 65 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000180AA5F5CB0, 16 bytes long.
Data: < I_ > 00 49 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000180AA5F4900, 40 bytes long.
Data: < \_ ` > B0 5C 5F AA 80 01 00 00 00 A1 60 AC 80 01 00 00
{265} normal block at 0x00000180AA5F61B0, 16 bytes long.
Data: <`e_ > 60 65 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000180AA5F55D0, 16 bytes long.
Data: <8e_ > 38 65 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000180AA5EFC10, 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 0x00000180AA5F53F0, 16 bytes long.
Data: < e_ > 10 65 5F AA 80 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000180AA5F6510, 992 bytes long.
Data: < S_ ^ > F0 53 5F AA 80 01 00 00 10 FC 5E AA 80 01 00 00
{97} normal block at 0x00000180AA5F0390, 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 0x00000180AA5EF580, 16 bytes long.
Data: < ] > F0 EE 5D AA 80 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000180AA5DEEF0, 40 bytes long.
Data: < ^ _ > 80 F5 5E AA 80 01 00 00 90 03 5F AA 80 01 00 00
{72} normal block at 0x00000180AA5EF490, 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 0x00000180AA5EE770, 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 0x00000180AA5EF4E0, 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 0x00000180AA5EF3F0, 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 0x00000180AA5EEEF0, 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 0x00000180AA5EF670, 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 0x00000180AA5EF350, 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 0x00000180AA5EEFE0, 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 0x00000180AA5EF080, 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 0x00000180AA5EF440, 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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