Task 38687082
| Name | test_603-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8577_0 |
| Workunit | 31628488 |
| Created | 28 Oct 2026, 5:55:35 UTC |
| Sent | 28 Oct 2026, 5:55:40 UTC |
| Report deadline | 2 Nov 2026, 5:55:40 UTC |
| Received | 28 Oct 2026, 7:51:11 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653296 |
| Run time | 53 min 44 sec |
| CPU time | 36 min 4 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,302.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 743.01 MB |
| Peak swap size | 11.39 GB |
| Peak disk usage | 3.99 GB |
Stderr output
<core_client_version>8.2.13</core_client_version>
<![CDATA[
<stderr_txt>
15:01:21 (45328): wrapper (7.9.26016): starting
15:01:21 (45328): 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
15:01:23 (45328): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:01:23 (45328): 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\28\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\28\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
15:49:23 (45328): C:/Windows/system32/cmd.exe exited; CPU time 2164.000000
15:49:24 (45328): 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: 68461365 bytes.
Dumping objects ->
{3835351} normal block at 0x00000270660426B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835340} normal block at 0x0000027066041D10, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835329} normal block at 0x0000027066041CA0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835318} normal block at 0x00000270660023C0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835307} normal block at 0x0000027066002350, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835276} normal block at 0x00000270699E37F0, 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) : {3835263} normal block at 0x0000027065FFFF60, 8 bytes long.
Data: < ip > 00 00 AD 69 70 02 00 00
{3834057} normal block at 0x0000027065FFFD80, 8 bytes long.
Data: <p fp > 70 EE 03 66 70 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000027065FED160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000027065FE66D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{296} normal block at 0x0000027065FFFA10, 16 bytes long.
Data: <X fp > 58 C5 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000027065FFF970, 16 bytes long.
Data: <0 fp > 30 C5 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000027065FFDB80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{293} normal block at 0x0000027065FFF740, 16 bytes long.
Data: < fp > 08 C5 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000027065FFF290, 16 bytes long.
Data: < fp > E0 C4 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000027065FFF010, 16 bytes long.
Data: < fp > B8 C4 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000027065FFFB50, 16 bytes long.
Data: < fp > 90 C4 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000027066002580, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{288} normal block at 0x0000027065FFF6F0, 16 bytes long.
Data: <8 ep > 38 DA FF 65 70 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000027065FFE780, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{286} normal block at 0x0000027065FFFB00, 16 bytes long.
Data: < ep > 10 DA FF 65 70 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000027065FFF420, 16 bytes long.
Data: < ep > E8 D9 FF 65 70 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000027065FFFF10, 16 bytes long.
Data: < ep > C0 D9 FF 65 70 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000027065FFF380, 16 bytes long.
Data: < ep > 98 D9 FF 65 70 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000027065FFF2E0, 16 bytes long.
Data: <p ep > 70 D9 FF 65 70 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000027065FFF920, 16 bytes long.
Data: <H ep > 48 D9 FF 65 70 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000027065FFE3C0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{278} normal block at 0x0000027065FFF9C0, 16 bytes long.
Data: < ep > 20 D9 FF 65 70 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000027065FFD920, 320 bytes long.
Data: < ep ep > C0 F9 FF 65 70 02 00 00 C0 E3 FF 65 70 02 00 00
{276} normal block at 0x0000027065FFF5B0, 16 bytes long.
Data: <p fp > 70 C4 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000027065FFF240, 16 bytes long.
Data: <H fp > 48 C4 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000027065FFE360, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{273} normal block at 0x0000027065FFF600, 16 bytes long.
Data: < fp > 20 C4 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000027065FFEA80, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{271} normal block at 0x0000027065FFF880, 16 bytes long.
Data: <h fp > 68 C3 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000027065FFF1F0, 16 bytes long.
Data: <@ fp > 40 C3 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000027065FFF790, 16 bytes long.
Data: < fp > 18 C3 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000027065FFF830, 16 bytes long.
Data: < fp > F0 C2 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000027065FFFC40, 16 bytes long.
Data: < fp > C8 C2 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000027065FFFC90, 16 bytes long.
Data: < fp > A0 C2 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000027065FFFD30, 16 bytes long.
Data: < % fp > 10 25 00 66 70 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000027066002510, 40 bytes long.
Data: <0 ep 7 ip > 30 FD FF 65 70 02 00 00 F0 37 9E 69 70 02 00 00
{262} normal block at 0x0000027065FFF150, 16 bytes long.
Data: < fp > 80 C2 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000027065FFFA60, 16 bytes long.
Data: <X fp > 58 C2 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000027065FFE900, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{259} normal block at 0x0000027065FFF510, 16 bytes long.
Data: <0 fp > 30 C2 01 66 70 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002706601C230, 992 bytes long.
Data: < ep ep > 10 F5 FF 65 70 02 00 00 00 E9 FF 65 70 02 00 00
{94} normal block at 0x0000027065FFE2A0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{93} normal block at 0x0000027065FFFCE0, 16 bytes long.
Data: < ! fp > 20 21 00 66 70 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000027066002120, 40 bytes long.
Data: < ep ep > E0 FC FF 65 70 02 00 00 A0 E2 FF 65 70 02 00 00
{69} normal block at 0x0000027065FEFBC0, 16 bytes long.
Data: < O > 80 EA 4F D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000027065FF0200, 16 bytes long.
Data: <@ O > 40 E9 4F D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000027065FEFB70, 16 bytes long.
Data: < WL > F8 57 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000027065FF0390, 16 bytes long.
Data: < WL > D8 57 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000027065FF00C0, 16 bytes long.
Data: <P L > 50 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000027065FEFF80, 16 bytes long.
Data: <0 L > 30 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000027065FF0840, 16 bytes long.
Data: < L > E0 02 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000027065FF01B0, 16 bytes long.
Data: < L > 10 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000027065FEFB20, 16 bytes long.
Data: <p L > 70 04 4C D6 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000027065FF0250, 16 bytes long.
Data: < J > 18 C0 4A D6 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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