Task 38686238
| Name | test_332-GPUGRID_TEST_ATM_40STEP_20261023-33-40-RND3019_0 |
| Workunit | 31627676 |
| Created | 28 Oct 2026, 1:29:48 UTC |
| Sent | 28 Oct 2026, 1:29:49 UTC |
| Report deadline | 2 Nov 2026, 1:29:49 UTC |
| Received | 28 Oct 2026, 3:38:26 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654837 |
| Run time | 46 min 4 sec |
| CPU time | 46 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 14,795.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 474.69 MB |
| Peak swap size | 6.90 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:42:39 (26276): wrapper (7.9.26016): starting
21:42:39 (26276): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
21:42:42 (19848): wrapper (7.9.26016): starting
21:42:42 (19848): 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
21:42:44 (19848): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:42:44 (19848): 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\19\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\19\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
22:36:59 (19848): C:/Windows/system32/cmd.exe exited; CPU time 2764.921875
22:36:59 (19848): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 69678297 bytes.
Dumping objects ->
{1865} normal block at 0x0000026361D74490, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1854} normal block at 0x0000026361D745E0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1843} normal block at 0x0000026361D74B90, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1832} normal block at 0x0000026361D748F0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1821} normal block at 0x0000026361D74B20, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1790} normal block at 0x0000026361D5E440, 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) : {1777} normal block at 0x0000026361D75A30, 8 bytes long.
Data: < %bc > 00 00 25 62 63 02 00 00
{303} normal block at 0x0000026361D764D0, 8 bytes long.
Data: <0f ac > 30 66 D7 61 63 02 00 00
{295} normal block at 0x0000026361D65CF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000026361D76250, 16 bytes long.
Data: <(U ac > 28 55 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000026361D76160, 16 bytes long.
Data: < U ac > 00 55 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000026361D6F860, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000026361D75E90, 16 bytes long.
Data: < T ac > D8 54 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000026361D76200, 16 bytes long.
Data: < T ac > B0 54 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000026361D75F80, 16 bytes long.
Data: < T ac > 88 54 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000026361D76390, 16 bytes long.
Data: <`T ac > 60 54 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000026361D74500, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000026361D75C60, 16 bytes long.
Data: < ac > D8 8E D6 61 63 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000026361D6FE60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000026361D765C0, 16 bytes long.
Data: < ac > B0 8E D6 61 63 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000026361D76430, 16 bytes long.
Data: < ac > 88 8E D6 61 63 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000026361D75B70, 16 bytes long.
Data: <` ac > 60 8E D6 61 63 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000026361D756C0, 16 bytes long.
Data: <8 ac > 38 8E D6 61 63 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000026361D75760, 16 bytes long.
Data: < ac > 10 8E D6 61 63 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000026361D76480, 16 bytes long.
Data: < ac > E8 8D D6 61 63 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000026361D70220, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000026361D76340, 16 bytes long.
Data: < ac > C0 8D D6 61 63 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000026361D68DC0, 320 bytes long.
Data: <@c ac ac > 40 63 D7 61 63 02 00 00 20 02 D7 61 63 02 00 00
{274} normal block at 0x0000026361D761B0, 16 bytes long.
Data: <@T ac > 40 54 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000026361D759E0, 16 bytes long.
Data: < T ac > 18 54 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000026361D6FA40, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000026361D762A0, 16 bytes long.
Data: < S ac > F0 53 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000026361D6FF80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000026361D762F0, 16 bytes long.
Data: <8S ac > 38 53 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000026361D763E0, 16 bytes long.
Data: < S ac > 10 53 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000026361D75F30, 16 bytes long.
Data: < R ac > E8 52 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000026361D75BC0, 16 bytes long.
Data: < R ac > C0 52 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000026361D75800, 16 bytes long.
Data: < R ac > 98 52 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000026361D6EC80, 16 bytes long.
Data: <pR ac > 70 52 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000026361D6EC30, 16 bytes long.
Data: < G ac > A0 47 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000026361D747A0, 40 bytes long.
Data: <0 ac @ ac > 30 EC D6 61 63 02 00 00 40 E4 D5 61 63 02 00 00
{260} normal block at 0x0000026361D6EB90, 16 bytes long.
Data: <PR ac > 50 52 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000026361D6EB40, 16 bytes long.
Data: <(R ac > 28 52 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000026361D6FEC0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000026361D6E7D0, 16 bytes long.
Data: < R ac > 00 52 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000026361D75200, 992 bytes long.
Data: < ac ac > D0 E7 D6 61 63 02 00 00 C0 FE D6 61 63 02 00 00
{92} normal block at 0x0000026361D702E0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000026361D6E640, 16 bytes long.
Data: <pE ac > 70 45 D7 61 63 02 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000026361D74570, 40 bytes long.
Data: <@ ac ac > 40 E6 D6 61 63 02 00 00 E0 02 D7 61 63 02 00 00
{69} normal block at 0x0000026361D6E910, 16 bytes long.
Data: < > 80 EA DD CB F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000026361D6E8C0, 16 bytes long.
Data: <@ > 40 E9 DD CB F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000026361D6F040, 16 bytes long.
Data: < W > F8 57 DA CB F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000026361D6EE10, 16 bytes long.
Data: < W > D8 57 DA CB F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000026361D6EDC0, 16 bytes long.
Data: <P > 50 04 DA CB F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000026361D6ED70, 16 bytes long.
Data: <0 > 30 04 DA CB F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000026361D6F400, 16 bytes long.
Data: < > E0 02 DA CB F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000026361D6EFF0, 16 bytes long.
Data: < > 10 04 DA CB F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000026361D6F220, 16 bytes long.
Data: <p > 70 04 DA CB F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000026361D6F090, 16 bytes long.
Data: < > 18 C0 D8 CB F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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