Task 38684529
| Name | test_669-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND6278_0 |
| Workunit | 31626040 |
| Created | 27 Oct 2026, 16:49:44 UTC |
| Sent | 27 Oct 2026, 16:49:47 UTC |
| Report deadline | 1 Nov 2026, 16:49:47 UTC |
| Received | 27 Oct 2026, 18:33:12 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 654622 |
| Run time | 59 min 7 sec |
| CPU time | 41 min 21 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,353.06 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 703.64 MB |
| Peak swap size | 6.85 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:53:11 (30508): wrapper (7.9.26016): starting
00:53:11 (30508): 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
00:53:12 (30508): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:53:12 (30508): 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\16\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\16\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
01:50:25 (30508): C:/Windows/system32/cmd.exe exited; CPU time 2481.656250
01:50:25 (30508): 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: 72377549 bytes.
Dumping objects ->
{3835294} normal block at 0x000001B5592075C0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835283} normal block at 0x000001B559207C50, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835272} normal block at 0x000001B5570F5200, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835261} normal block at 0x000001B5570F5190, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835250} normal block at 0x000001B5570F5040, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835219} normal block at 0x000001B559216C40, 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) : {3835205} normal block at 0x000001B5570EFDD0, 8 bytes long.
Data: < [W > 00 00 5B 57 B5 01 00 00
{3834057} normal block at 0x000001B5570EFD30, 8 bytes long.
Data: < 4'Y > 90 34 27 59 B5 01 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001B5570F1A10, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001B5570E6EE0, 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 0x000001B5570F6790, 16 bytes long.
Data: < l W > 18 6C 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001B5570F6330, 16 bytes long.
Data: < k W > F0 6B 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001B5570EFB30, 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 0x000001B5570F64C0, 16 bytes long.
Data: < k W > C8 6B 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001B5570F6740, 16 bytes long.
Data: < k W > A0 6B 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001B5570F6100, 16 bytes long.
Data: <xk W > 78 6B 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001B5570F6470, 16 bytes long.
Data: <Pk W > 50 6B 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001B5570F5120, 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 0x000001B5570F59D0, 16 bytes long.
Data: <H W > 48 93 0E 57 B5 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001B5570EEC30, 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 0x000001B5570F5A70, 16 bytes long.
Data: < W > 20 93 0E 57 B5 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001B5570F5DE0, 16 bytes long.
Data: < W > F8 92 0E 57 B5 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001B5570F6420, 16 bytes long.
Data: < W > D0 92 0E 57 B5 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001B5570F65B0, 16 bytes long.
Data: < W > A8 92 0E 57 B5 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001B5570F62E0, 16 bytes long.
Data: < W > 80 92 0E 57 B5 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001B5570F6650, 16 bytes long.
Data: <X W > 58 92 0E 57 B5 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001B5570EF5F0, 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 0x000001B5570F5D90, 16 bytes long.
Data: <0 W > 30 92 0E 57 B5 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001B5570E9230, 320 bytes long.
Data: < ] W W > 90 5D 0F 57 B5 01 00 00 F0 F5 0E 57 B5 01 00 00
{276} normal block at 0x000001B5570F63D0, 16 bytes long.
Data: <0k W > 30 6B 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001B5570F6560, 16 bytes long.
Data: < k W > 08 6B 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001B5570EF530, 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 0x000001B5570F6600, 16 bytes long.
Data: < j W > E0 6A 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001B5570EF590, 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 0x000001B5570F61A0, 16 bytes long.
Data: <(j W > 28 6A 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001B5570F5980, 16 bytes long.
Data: < j W > 00 6A 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001B5570F5930, 16 bytes long.
Data: < i W > D8 69 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001B5570F5A20, 16 bytes long.
Data: < i W > B0 69 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001B5570F5B60, 16 bytes long.
Data: < i W > 88 69 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001B5570F6880, 16 bytes long.
Data: <`i W > 60 69 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001B5570F6510, 16 bytes long.
Data: < N W > 80 4E 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001B5570F4E80, 40 bytes long.
Data: < e W @l!Y > 10 65 0F 57 B5 01 00 00 40 6C 21 59 B5 01 00 00
{262} normal block at 0x000001B5570F5ED0, 16 bytes long.
Data: <@i W > 40 69 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001B5570F6830, 16 bytes long.
Data: < i W > 18 69 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001B5570EFAD0, 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 0x000001B5570F5D40, 16 bytes long.
Data: < h W > F0 68 0F 57 B5 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001B5570F68F0, 992 bytes long.
Data: <@] W W > 40 5D 0F 57 B5 01 00 00 D0 FA 0E 57 B5 01 00 00
{94} normal block at 0x000001B5570EF8F0, 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 0x000001B5570EFEC0, 16 bytes long.
Data: <@ W > 40 F0 0D 57 B5 01 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x000001B5570DF040, 40 bytes long.
Data: < W W > C0 FE 0E 57 B5 01 00 00 F0 F8 0E 57 B5 01 00 00
{69} normal block at 0x000001B5570F0460, 16 bytes long.
Data: < mt > 80 EA 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001B5570F0AA0, 16 bytes long.
Data: <@ mt > 40 E9 6D 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001B5570EFC40, 16 bytes long.
Data: < Wjt > F8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001B5570EFF10, 16 bytes long.
Data: < Wjt > D8 57 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001B5570F0410, 16 bytes long.
Data: <P jt > 50 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001B5570EFE70, 16 bytes long.
Data: <0 jt > 30 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001B5570EFF60, 16 bytes long.
Data: < jt > E0 02 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001B5570F0550, 16 bytes long.
Data: < jt > 10 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001B5570F09B0, 16 bytes long.
Data: <p jt > 70 04 6A 74 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001B5570F0B40, 16 bytes long.
Data: < ht > 18 C0 68 74 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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