Task 38681909
| Name | test_583-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4690_0 |
| Workunit | 31623551 |
| Created | 27 Oct 2026, 5:50:54 UTC |
| Sent | 27 Oct 2026, 5:51:01 UTC |
| Report deadline | 1 Nov 2026, 5:51:01 UTC |
| Received | 27 Oct 2026, 7:47:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 610949 |
| Run time | 28 min 56 sec |
| CPU time | 27 min 13 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 20,317.22 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 716.69 MB |
| Peak swap size | 9.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:18:27 (8712): wrapper (7.9.26016): starting
16:18:27 (8712): 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
16:18:28 (8712): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:18:28 (8712): 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\1\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\1\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
16:46:40 (8712): C:/Windows/system32/cmd.exe exited; CPU time 1633.531250
16:46:40 (8712): 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: 38811173 bytes.
Dumping objects ->
{3835380} normal block at 0x0000025BF034C7F0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835369} normal block at 0x0000025BF034C2B0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835358} normal block at 0x0000025BF034C550, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835347} normal block at 0x0000025BF034CE10, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835336} normal block at 0x0000025BF034C400, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835305} normal block at 0x0000025BF034B570, 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) : {3835292} normal block at 0x0000025BF030C050, 8 bytes long.
Data: < [ > 00 00 F7 F1 5B 02 00 00
{3834077} normal block at 0x0000025BF030BE20, 8 bytes long.
Data: <° . [ > B0 E3 2E F0 5B 02 00 00
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x0000025BF02FE310, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000025BF02EFC50, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{301} normal block at 0x0000025BF030C550, 16 bytes long.
Data: <8·0 [ > 38 B7 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000025BF030BC90, 16 bytes long.
Data: < ·0 [ > 10 B7 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000025BF03045B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{298} normal block at 0x0000025BF030C7D0, 16 bytes long.
Data: < ¶0 [ > E8 B6 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000025BF030C230, 16 bytes long.
Data: <˦0 [ > C0 B6 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000025BF03082A0, 16 bytes long.
Data: < ¶0 [ > 98 B6 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000025BF0308250, 16 bytes long.
Data: <p¶0 [ > 70 B6 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000025BF03060F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{293} normal block at 0x0000025BF0307BC0, 16 bytes long.
Data: <x®0 [ > 78 AE 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000025BF0303C50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{291} normal block at 0x0000025BF0307990, 16 bytes long.
Data: <P®0 [ > 50 AE 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000025BF0308660, 16 bytes long.
Data: <(®0 [ > 28 AE 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000025BF03085C0, 16 bytes long.
Data: < ®0 [ > 00 AE 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000025BF0307B70, 16 bytes long.
Data: <Ø­0 [ > D8 AD 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000025BF0308200, 16 bytes long.
Data: <°­0 [ > B0 AD 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000025BF0308110, 16 bytes long.
Data: < ­0 [ > 88 AD 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000025BF0303B90, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{283} normal block at 0x0000025BF03080C0, 16 bytes long.
Data: <`­0 [ > 60 AD 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000025BF030AD60, 320 bytes long.
Data: <À 0 [ ;0 [ > C0 80 30 F0 5B 02 00 00 90 3B 30 F0 5B 02 00 00
{281} normal block at 0x0000025BF0307E40, 16 bytes long.
Data: <P¶0 [ > 50 B6 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000025BF0307D00, 16 bytes long.
Data: <(¶0 [ > 28 B6 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000025BF0303B30, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{278} normal block at 0x0000025BF03078F0, 16 bytes long.
Data: < ¶0 [ > 00 B6 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000025BF0304550, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{276} normal block at 0x0000025BF0307CB0, 16 bytes long.
Data: <Hµ0 [ > 48 B5 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000025BF03083E0, 16 bytes long.
Data: < µ0 [ > 20 B5 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000025BF0308520, 16 bytes long.
Data: < ´0 [ > F8 B4 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000025BF03084D0, 16 bytes long.
Data: <д0 [ > D0 B4 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000025BF0307FD0, 16 bytes long.
Data: <¨´0 [ > A8 B4 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000025BF0307F80, 16 bytes long.
Data: < ´0 [ > 80 B4 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000025BF0307DF0, 16 bytes long.
Data: <`a0 [ > 60 61 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000025BF0306160, 40 bytes long.
Data: < }0 [ pµ4 [ > F0 7D 30 F0 5B 02 00 00 70 B5 34 F0 5B 02 00 00
{267} normal block at 0x0000025BF0307B20, 16 bytes long.
Data: <`´0 [ > 60 B4 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000025BF0307C10, 16 bytes long.
Data: <8´0 [ > 38 B4 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000025BF0304430, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{264} normal block at 0x0000025BF03079E0, 16 bytes long.
Data: < ´0 [ > 10 B4 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000025BF030B410, 992 bytes long.
Data: < y0 [ 0D0 [ > E0 79 30 F0 5B 02 00 00 30 44 30 F0 5B 02 00 00
{99} normal block at 0x0000025BF0304670, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{98} normal block at 0x0000025BF03081B0, 16 bytes long.
Data: <À^0 [ > C0 5E 30 F0 5B 02 00 00 00 00 00 00 00 00 00 00
{97} normal block at 0x0000025BF0305EC0, 40 bytes long.
Data: <° 0 [ pF0 [ > B0 81 30 F0 5B 02 00 00 70 46 30 F0 5B 02 00 00
{74} normal block at 0x0000025BF0307F30, 16 bytes long.
Data: < m > 80 EA EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000025BF0307EE0, 16 bytes long.
Data: <@ m > 40 E9 EF 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000025BF0307850, 16 bytes long.
Data: < W m > F8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000025BF03078A0, 16 bytes long.
Data: <ØW m > D8 57 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000025BF0308020, 16 bytes long.
Data: <P m > 50 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000025BF0307800, 16 bytes long.
Data: <0 m > 30 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000025BF02FBCF0, 16 bytes long.
Data: < m > E0 02 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000025BF02FBBB0, 16 bytes long.
Data: < m > 10 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000025BF02FBB60, 16 bytes long.
Data: <p m > 70 04 EC 6D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000025BF02FBB10, 16 bytes long.
Data: < À m > 18 C0 EA 6D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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