Task 38688411
| Name | test_821-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND6755_0 |
| Workunit | 31629763 |
| Created | 28 Oct 2026, 13:42:58 UTC |
| Sent | 28 Oct 2026, 13:42:58 UTC |
| Report deadline | 2 Nov 2026, 13:42:58 UTC |
| Received | 28 Oct 2026, 15:16:14 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 628418 |
| Run time | 40 min 20 sec |
| CPU time | 39 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,171.24 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 704.92 MB |
| Peak swap size | 9.87 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:29:45 (7384): wrapper (7.9.26016): starting
14:29:45 (7384): 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
14:29:46 (7384): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:29:46 (7384): 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 'D:\BOINC_DATA\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 'D:\BOINC_DATA\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
15:08:57 (7384): C:/Windows/system32/cmd.exe exited; CPU time 2397.875000
15:08:57 (7384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 39498457 bytes.
Dumping objects ->
{3835248} normal block at 0x0000020ACADCC530, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835237} normal block at 0x0000020ACAE653A0, 32 bytes long.
Data: <HOME=D:\BOINC_DA> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835226} normal block at 0x0000020ACAE65A00, 32 bytes long.
Data: <TMP=D:\BOINC_DAT> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41 54
{3835215} normal block at 0x0000020ACAE65AC0, 32 bytes long.
Data: <TEMP=D:\BOINC_DA> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835204} normal block at 0x0000020ACAE65160, 32 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{3835173} normal block at 0x0000020ACADCC610, 48 bytes long.
Data: <PATH=D:\BOINC_DA> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 44 41
{3835162} normal block at 0x0000020AC9079D50, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
..\api\boinc_api.cpp(309) : {3835159} normal block at 0x0000020AC9076FA0, 8 bytes long.
Data: < ªÊ > 00 00 AA CA 0A 02 00 00
{3834561} normal block at 0x0000020AC9079E60, 200 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833961} normal block at 0x0000020AC9077540, 8 bytes long.
Data: < 9êÊ > A0 39 EA CA 0A 02 00 00
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000020AC90818B0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000020AC907D140, 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 0x0000020AC9082A30, 16 bytes long.
Data: <(@ É > 28 40 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000020AC9083750, 16 bytes long.
Data: < @ É > 00 40 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000020AC907BAC0, 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 0x0000020AC9082FD0, 16 bytes long.
Data: <Ø? É > D8 3F 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000020AC90829E0, 16 bytes long.
Data: <°? É > B0 3F 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020AC9082F30, 16 bytes long.
Data: < ? É > 88 3F 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020AC9082F80, 16 bytes long.
Data: <`? É > 60 3F 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000020AC907DDB0, 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 0x0000020AC9083890, 16 bytes long.
Data: <ø³ É > F8 B3 06 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020AC907BE80, 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 0x0000020AC90836B0, 16 bytes long.
Data: <г É > D0 B3 06 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000020AC90832F0, 16 bytes long.
Data: <¨³ É > A8 B3 06 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020AC90833E0, 16 bytes long.
Data: < ³ É > 80 B3 06 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000020AC9082990, 16 bytes long.
Data: <X³ É > 58 B3 06 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000020AC9083390, 16 bytes long.
Data: <0³ É > 30 B3 06 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020AC9083840, 16 bytes long.
Data: < ³ É > 08 B3 06 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020AC907C720, 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 0x0000020AC9083660, 16 bytes long.
Data: <à² É > E0 B2 06 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020AC906B2E0, 320 bytes long.
Data: <`6 É Ç É > 60 36 08 C9 0A 02 00 00 20 C7 07 C9 0A 02 00 00
{276} normal block at 0x0000020AC9082EE0, 16 bytes long.
Data: <@? É > 40 3F 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020AC9083160, 16 bytes long.
Data: < ? É > 18 3F 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000020AC907BA60, 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 0x0000020AC9082E40, 16 bytes long.
Data: <ð> É > F0 3E 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000020AC907C120, 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 0x0000020AC9082DA0, 16 bytes long.
Data: <8> É > 38 3E 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020AC9082D00, 16 bytes long.
Data: < > É > 10 3E 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000020AC9082C60, 16 bytes long.
Data: <è= É > E8 3D 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020AC9083520, 16 bytes long.
Data: <À= É > C0 3D 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000020AC90837F0, 16 bytes long.
Data: < = É > 98 3D 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020AC90831B0, 16 bytes long.
Data: <p= É > 70 3D 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020AC9083340, 16 bytes long.
Data: < Ú É > A0 DA 07 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020AC907DAA0, 40 bytes long.
Data: <@3 É ÆÜÊ > 40 33 08 C9 0A 02 00 00 10 C6 DC CA 0A 02 00 00
{262} normal block at 0x0000020AC90835C0, 16 bytes long.
Data: <P= É > 50 3D 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000020AC9082D50, 16 bytes long.
Data: <(= É > 28 3D 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020AC907B880, 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 0x0000020AC9082DF0, 16 bytes long.
Data: < = É > 00 3D 08 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000020AC9083D00, 992 bytes long.
Data: <ð- É ¸ É > F0 2D 08 C9 0A 02 00 00 80 B8 07 C9 0A 02 00 00
{94} normal block at 0x0000020AC907C2A0, 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 0x0000020AC9076A00, 16 bytes long.
Data: <pØ É > 70 D8 07 C9 0A 02 00 00 00 00 00 00 00 00 00 00
{92} normal block at 0x0000020AC907D870, 40 bytes long.
Data: < j É  Â É > 00 6A 07 C9 0A 02 00 00 A0 C2 07 C9 0A 02 00 00
{71} normal block at 0x0000020AC90777C0, 16 bytes long.
Data: < ê#c÷ > 80 EA 23 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000020AC90776D0, 16 bytes long.
Data: <@é#c÷ > 40 E9 23 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000020AC9077630, 16 bytes long.
Data: <øW c÷ > F8 57 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000020AC9077040, 16 bytes long.
Data: <ØW c÷ > D8 57 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000020AC9076CD0, 16 bytes long.
Data: <P c÷ > 50 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020AC90774A0, 16 bytes long.
Data: <0 c÷ > 30 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020AC90769B0, 16 bytes long.
Data: <à c÷ > E0 02 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020AC9076960, 16 bytes long.
Data: < c÷ > 10 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020AC9077450, 16 bytes long.
Data: <p c÷ > 70 04 20 63 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020AC9077860, 16 bytes long.
Data: < À c÷ > 18 C0 1E 63 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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