Task 38667737
| Name | test_342-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND0946_0 |
| Workunit | 31610335 |
| Created | 25 Oct 2026, 9:13:03 UTC |
| Sent | 25 Oct 2026, 9:13:06 UTC |
| Report deadline | 30 Oct 2026, 9:13:06 UTC |
| Received | 25 Oct 2026, 9:50:02 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 651274 |
| Run time | 26 min 34 sec |
| CPU time | 24 min 41 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 29,502.51 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 721.58 MB |
| Peak swap size | 6.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:24:17 (41060): wrapper (7.9.26016): starting
04:24:17 (41060): 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
04:24:18 (41060): Library/usr/bin/tar.exe exited; CPU time 0.015625
04:24:18 (41060): 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\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 'C:\ProgramData\BOINC\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
04:49:42 (41060): C:/Windows/system32/cmd.exe exited; CPU time 1481.390625
04:49:42 (41060): 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: 26874099 bytes.
Dumping objects ->
{3835249} normal block at 0x00000197656AD530, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835238} normal block at 0x0000019763B54970, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835227} normal block at 0x0000019763B546D0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835216} normal block at 0x0000019763B54660, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835205} normal block at 0x0000019763B54900, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835174} normal block at 0x00000197656F6CF0, 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) : {3835161} normal block at 0x0000019763B51440, 8 bytes long.
Data: < d— > 00 00 01 64 97 01 00 00
{3833955} normal block at 0x0000019763B50F40, 8 bytes long.
Data: <`ëÂc— > 60 EB C2 63 97 01 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000019763B46C00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000019763B47BD0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000019763B55B90, 16 bytes long.
Data: < Vµc— > 88 56 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019763B56270, 16 bytes long.
Data: <`Vµc— > 60 56 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019763B4F960, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000019763B56590, 16 bytes long.
Data: <8Vµc— > 38 56 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019763B56630, 16 bytes long.
Data: < Vµc— > 10 56 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019763B55C80, 16 bytes long.
Data: <èUµc— > E8 55 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019763B56360, 16 bytes long.
Data: <ÀUµc— > C0 55 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000019763B54740, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000019763B55AA0, 16 bytes long.
Data: <¸Ÿ´c— > B8 9F B4 63 97 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000019763B4FA20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000019763B56400, 16 bytes long.
Data: < Ÿ´c— > 90 9F B4 63 97 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019763B55B40, 16 bytes long.
Data: <hŸ´c— > 68 9F B4 63 97 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019763B558C0, 16 bytes long.
Data: <@Ÿ´c— > 40 9F B4 63 97 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019763B55A50, 16 bytes long.
Data: < Ÿ´c— > 18 9F B4 63 97 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019763B557D0, 16 bytes long.
Data: <ðž´c— > F0 9E B4 63 97 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019763B56310, 16 bytes long.
Data: <Èž´c— > C8 9E B4 63 97 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019763B4FD20, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000019763B55D20, 16 bytes long.
Data: < ž´c— > A0 9E B4 63 97 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019763B49EA0, 320 bytes long.
Data: < ]µc— ý´c— > 20 5D B5 63 97 01 00 00 20 FD B4 63 97 01 00 00
{273} normal block at 0x0000019763B56130, 16 bytes long.
Data: < Uµc— > A0 55 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019763B55A00, 16 bytes long.
Data: <xUµc— > 78 55 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019763B4FC60, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000019763B562C0, 16 bytes long.
Data: <PUµc— > 50 55 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019763B501A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000019763B56540, 16 bytes long.
Data: < Tµc— > 98 54 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019763B559B0, 16 bytes long.
Data: <pTµc— > 70 54 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019763B56090, 16 bytes long.
Data: <HTµc— > 48 54 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019763B56220, 16 bytes long.
Data: < Tµc— > 20 54 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019763B50E50, 16 bytes long.
Data: <øSµc— > F8 53 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000019763B50E00, 16 bytes long.
Data: <ÐSµc— > D0 53 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019763B50D10, 16 bytes long.
Data: <PJµc— > 50 4A B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000019763B54A50, 40 bytes long.
Data: < µc— ðloe— > 10 0D B5 63 97 01 00 00 F0 6C 6F 65 97 01 00 00
{259} normal block at 0x0000019763B514E0, 16 bytes long.
Data: <°Sµc— > B0 53 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019763B50C70, 16 bytes long.
Data: < Sµc— > 88 53 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000019763B4FEA0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000019763B507C0, 16 bytes long.
Data: <`Sµc— > 60 53 B5 63 97 01 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000019763B55360, 992 bytes long.
Data: <À µc—  þ´c— > C0 07 B5 63 97 01 00 00 A0 FE B4 63 97 01 00 00
{91} normal block at 0x0000019763B4F840, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000019763B509A0, 16 bytes long.
Data: <Pç³c— > 50 E7 B3 63 97 01 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000019763B3E750, 40 bytes long.
Data: <  µc— @ø´c— > A0 09 B5 63 97 01 00 00 40 F8 B4 63 97 01 00 00
{68} normal block at 0x0000019763B51620, 16 bytes long.
Data: < 긫ö > 80 EA B8 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019763B510D0, 16 bytes long.
Data: <@鸫ö > 40 E9 B8 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019763B50DB0, 16 bytes long.
Data: <øWµ«ö > F8 57 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019763B50CC0, 16 bytes long.
Data: <ØWµ«ö > D8 57 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019763B50BD0, 16 bytes long.
Data: <P 殔 > 50 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019763B51490, 16 bytes long.
Data: <0 殔 > 30 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019763B51120, 16 bytes long.
Data: <à µ«ö > E0 02 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019763B50AE0, 16 bytes long.
Data: < 殔 > 10 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019763B50B80, 16 bytes long.
Data: <p 殔 > 70 04 B5 AB F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000019763B51080, 16 bytes long.
Data: < À³«ö > 18 C0 B3 AB F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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