Task 38699157
| Name | test_771-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND7870_0 |
| Workunit | 31639588 |
| Created | 3 Nov 2026, 16:58:25 UTC |
| Sent | 3 Nov 2026, 16:58:33 UTC |
| Report deadline | 8 Nov 2026, 16:58:33 UTC |
| Received | 4 Nov 2026, 9:10:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 485535 |
| Run time | 1 hours 4 min 27 sec |
| CPU time | 56 min 46 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 16,200.74 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.64 MB |
| Peak swap size | 2.38 GB |
| Peak disk usage | 3.67 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:07:59 (5568): wrapper (7.9.26016): starting
09:07:59 (5568): 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
09:08:03 (5568): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:08:03 (5568): 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
10:09:51 (5568): C:/Windows/system32/cmd.exe exited; CPU time 3406.781250
10:09:51 (5568): 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: 51007063 bytes.
Dumping objects ->
{3835416} normal block at 0x00000217D8C410D0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835405} normal block at 0x00000217D8C40FF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835394} normal block at 0x00000217D8C40E30, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835383} normal block at 0x00000217D8C41840, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835372} normal block at 0x00000217D8C41530, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835341} normal block at 0x00000217D8D34500, 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) : {3835328} normal block at 0x00000217D7206E10, 8 bytes long.
Data: < × > 00 00 18 D7 17 02 00 00
{3833949} normal block at 0x00000217D72078B0, 8 bytes long.
Data: <0’ × > 30 92 1F D7 17 02 00 00
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000217D7211DA0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000217D71FA650, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{290} normal block at 0x00000217D7213010, 16 bytes long.
Data: <Ø?!× > D8 3F 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000217D7213150, 16 bytes long.
Data: <°?!× > B0 3F 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000217D720DB20, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{287} normal block at 0x00000217D7213A60, 16 bytes long.
Data: < ?!× > 88 3F 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000217D7212ED0, 16 bytes long.
Data: <`?!× > 60 3F 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000217D7213A10, 16 bytes long.
Data: <8?!× > 38 3F 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000217D7213920, 16 bytes long.
Data: < ?!× > 10 3F 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000217D720BD80, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{282} normal block at 0x00000217D7213100, 16 bytes long.
Data: < \ × > 08 5C 1F D7 17 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x00000217D720D520, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{280} normal block at 0x00000217D7213740, 16 bytes long.
Data: <à[ × > E0 5B 1F D7 17 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000217D72136F0, 16 bytes long.
Data: <¸[ × > B8 5B 1F D7 17 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000217D7213330, 16 bytes long.
Data: < [ × > 90 5B 1F D7 17 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000217D7212D90, 16 bytes long.
Data: <h[ × > 68 5B 1F D7 17 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000217D72138D0, 16 bytes long.
Data: <@[ × > 40 5B 1F D7 17 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000217D7213650, 16 bytes long.
Data: < [ × > 18 5B 1F D7 17 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000217D720D580, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{272} normal block at 0x00000217D7213B50, 16 bytes long.
Data: <ðZ × > F0 5A 1F D7 17 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000217D71F5AF0, 320 bytes long.
Data: <P;!× Õ × > 50 3B 21 D7 17 02 00 00 80 D5 20 D7 17 02 00 00
{270} normal block at 0x00000217D72134C0, 16 bytes long.
Data: <ð>!× > F0 3E 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000217D72133D0, 16 bytes long.
Data: <È>!× > C8 3E 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000217D720DB80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{267} normal block at 0x00000217D7213470, 16 bytes long.
Data: < >!× > A0 3E 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000217D720D0A0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{265} normal block at 0x00000217D72135B0, 16 bytes long.
Data: <è=!× > E8 3D 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000217D7212D40, 16 bytes long.
Data: <À=!× > C0 3D 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000217D7212CF0, 16 bytes long.
Data: < =!× > 98 3D 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x00000217D7212F70, 16 bytes long.
Data: <p=!× > 70 3D 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000217D7213BF0, 16 bytes long.
Data: <H=!× > 48 3D 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x00000217D7213510, 16 bytes long.
Data: < =!× > 20 3D 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x00000217D7213BA0, 16 bytes long.
Data: < ¼ × > A0 BC 20 D7 17 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x00000217D720BCA0, 40 bytes long.
Data: < ;!× EÓØ > A0 3B 21 D7 17 02 00 00 00 45 D3 D8 17 02 00 00
{256} normal block at 0x00000217D7213600, 16 bytes long.
Data: < =!× > 00 3D 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x00000217D7213420, 16 bytes long.
Data: <Ø<!× > D8 3C 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x00000217D720D460, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{253} normal block at 0x00000217D72136A0, 16 bytes long.
Data: <°<!× > B0 3C 21 D7 17 02 00 00 00 00 00 00 00 00 00 00
{252} normal block at 0x00000217D7213CB0, 992 bytes long.
Data: < 6!× `Ô × > A0 36 21 D7 17 02 00 00 60 D4 20 D7 17 02 00 00
{88} normal block at 0x00000217D720DD00, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{87} normal block at 0x00000217D7207450, 16 bytes long.
Data: <À» × > C0 BB 20 D7 17 02 00 00 00 00 00 00 00 00 00 00
{86} normal block at 0x00000217D720BBC0, 40 bytes long.
Data: <Pt × Ý × > 50 74 20 D7 17 02 00 00 00 DD 20 D7 17 02 00 00
{65} normal block at 0x00000217D7207860, 16 bytes long.
Data: < êg¸÷ > 80 EA 67 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x00000217D7207400, 16 bytes long.
Data: <@ég¸÷ > 40 E9 67 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x00000217D7207270, 16 bytes long.
Data: <øWd¸÷ > F8 57 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x00000217D7206DC0, 16 bytes long.
Data: <ØWd¸÷ > D8 57 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x00000217D7206FA0, 16 bytes long.
Data: <P d¸÷ > 50 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x00000217D7207C20, 16 bytes long.
Data: <0 d¸÷ > 30 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x00000217D7207090, 16 bytes long.
Data: <à d¸÷ > E0 02 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x00000217D7206FF0, 16 bytes long.
Data: < d¸÷ > 10 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x00000217D7207130, 16 bytes long.
Data: <p d¸÷ > 70 04 64 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x00000217D7207220, 16 bytes long.
Data: < Àb¸÷ > 18 C0 62 B8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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