Task 38666814
| Name | test_630-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND4712_0 |
| Workunit | 31609577 |
| Created | 25 Oct 2026, 4:51:03 UTC |
| Sent | 25 Oct 2026, 4:58:38 UTC |
| Report deadline | 30 Oct 2026, 4:58:38 UTC |
| Received | 25 Oct 2026, 5:28:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 652430 |
| Run time | 25 min 11 sec |
| CPU time | 24 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 31,239.72 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 735.13 MB |
| Peak swap size | 6.93 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:03:50 (32784): wrapper (7.9.26016): starting
00:03:50 (32784): 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
00:03:52 (32784): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:03:52 (32784): 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\0\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\0\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
00:28:30 (32784): C:/Windows/system32/cmd.exe exited; CPU time 1444.968750
00:28:30 (32784): 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: 27259393 bytes.
Dumping objects ->
{3835197} normal block at 0x00000270E35426C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835186} normal block at 0x00000270E35418C0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835175} normal block at 0x00000270E3541BD0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835164} normal block at 0x00000270E35422D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835153} normal block at 0x00000270E3541FC0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835122} normal block at 0x00000270E36DD280, 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) : {3835109} normal block at 0x00000270E1A2EFB0, 8 bytes long.
Data: < éáp > 00 00 E9 E1 70 02 00 00
{3833959} normal block at 0x00000270E1A2E790, 8 bytes long.
Data: <À8xãp > C0 38 78 E3 70 02 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000270E1A30710, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x00000270E1A25E70, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x00000270E1A358B0, 16 bytes long.
Data: <ÈV£áp > C8 56 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000270E1A36350, 16 bytes long.
Data: < V£áp > A0 56 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000270E1A2FCA0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x00000270E1A360D0, 16 bytes long.
Data: <xV£áp > 78 56 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000270E1A35CC0, 16 bytes long.
Data: <PV£áp > 50 56 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000270E1A36530, 16 bytes long.
Data: <(V£áp > 28 56 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000270E1A35E50, 16 bytes long.
Data: < V£áp > 00 56 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000270E1A33820, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x00000270E1A36490, 16 bytes long.
Data: <È ¢áp > C8 8F A2 E1 70 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000270E1A30480, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x00000270E1A363F0, 16 bytes long.
Data: <  ¢áp > A0 8F A2 E1 70 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000270E1A35900, 16 bytes long.
Data: <x ¢áp > 78 8F A2 E1 70 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000270E1A35860, 16 bytes long.
Data: <P ¢áp > 50 8F A2 E1 70 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000270E1A35E00, 16 bytes long.
Data: <( ¢áp > 28 8F A2 E1 70 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000270E1A36670, 16 bytes long.
Data: < ¢áp > 00 8F A2 E1 70 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x00000270E1A35D60, 16 bytes long.
Data: <ØŽ¢áp > D8 8E A2 E1 70 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000270E1A2F820, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x00000270E1A35DB0, 16 bytes long.
Data: <°Ž¢áp > B0 8E A2 E1 70 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000270E1A28EB0, 320 bytes long.
Data: <°]£áp ø¢áp > B0 5D A3 E1 70 02 00 00 20 F8 A2 E1 70 02 00 00
{275} normal block at 0x00000270E1A35A40, 16 bytes long.
Data: <àU£áp > E0 55 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000270E1A364E0, 16 bytes long.
Data: <¸U£áp > B8 55 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000270E1A2FFA0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x00000270E1A35810, 16 bytes long.
Data: < U£áp > 90 55 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000270E1A30540, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x00000270E1A36760, 16 bytes long.
Data: <ØT£áp > D8 54 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000270E1A36080, 16 bytes long.
Data: <°T£áp > B0 54 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000270E1A35F90, 16 bytes long.
Data: < T£áp > 88 54 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000270E1A36170, 16 bytes long.
Data: <`T£áp > 60 54 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000270E1A36120, 16 bytes long.
Data: <8T£áp > 38 54 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x00000270E1A2E740, 16 bytes long.
Data: < T£áp > 10 54 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000270E1A2E6F0, 16 bytes long.
Data: < ;£áp > A0 3B A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000270E1A33BA0, 40 bytes long.
Data: <ðæ¢áp Òmãp > F0 E6 A2 E1 70 02 00 00 80 D2 6D E3 70 02 00 00
{261} normal block at 0x00000270E1A2F5F0, 16 bytes long.
Data: <ðS£áp > F0 53 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000270E1A2F5A0, 16 bytes long.
Data: <ÈS£áp > C8 53 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x00000270E1A304E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x00000270E1A2F0F0, 16 bytes long.
Data: < S£áp > A0 53 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000270E1A353A0, 992 bytes long.
Data: <ðð¢áp à £áp > F0 F0 A2 E1 70 02 00 00 E0 04 A3 E1 70 02 00 00
{93} normal block at 0x00000270E1A2F760, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x00000270E1A2EC90, 16 bytes long.
Data: < 9£áp > 00 39 A3 E1 70 02 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x00000270E1A33900, 40 bytes long.
Data: < ì¢áp `÷¢áp > 90 EC A2 E1 70 02 00 00 60 F7 A2 E1 70 02 00 00
{70} normal block at 0x00000270E1A2EA60, 16 bytes long.
Data: < êwÞö > 80 EA 77 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000270E1A2E830, 16 bytes long.
Data: <@éwÞö > 40 E9 77 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000270E1A2EEC0, 16 bytes long.
Data: <øWtÞö > F8 57 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000270E1A2F410, 16 bytes long.
Data: <ØWtÞö > D8 57 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000270E1A2E970, 16 bytes long.
Data: <P tÞö > 50 04 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000270E1A2E920, 16 bytes long.
Data: <0 tÞö > 30 04 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000270E1A2EC40, 16 bytes long.
Data: <à tÞö > E0 02 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000270E1A2EAB0, 16 bytes long.
Data: < tÞö > 10 04 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000270E1A2F3C0, 16 bytes long.
Data: <p tÞö > 70 04 74 DE F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000270E1A2E8D0, 16 bytes long.
Data: < ÀrÞö > 18 C0 72 DE F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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