Task 38685365
| Name | test_596-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND2903_0 |
| Workunit | 31626835 |
| Created | 27 Oct 2026, 20:42:54 UTC |
| Sent | 27 Oct 2026, 20:43:01 UTC |
| Report deadline | 1 Nov 2026, 20:43:01 UTC |
| Received | 27 Oct 2026, 21:14:59 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 639137 |
| Run time | 31 min 8 sec |
| CPU time | 28 min 26 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 13,451.30 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 715.48 MB |
| Peak swap size | 8.31 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:44:53 (34588): wrapper (7.9.26016): starting
00:44:53 (34588): 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
00:44:55 (34588): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:44:55 (34588): 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\10\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\10\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
01:14:29 (34588): C:/Windows/system32/cmd.exe exited; CPU time 1706.109375
01:14:29 (34588): 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: 47969199 bytes.
Dumping objects ->
{3835387} normal block at 0x000001ECA630DDF0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835376} normal block at 0x000001ECA630D530, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835365} normal block at 0x000001ECA4665450, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835354} normal block at 0x000001ECA4665370, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835343} normal block at 0x000001ECA4665300, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835312} normal block at 0x000001ECA635BAB0, 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) : {3835299} normal block at 0x000001ECA465E3B0, 8 bytes long.
Data: < b¤ì > 00 00 62 A4 EC 01 00 00
{3833968} normal block at 0x000001ECA465DB40, 8 bytes long.
Data: <`×d¤ì > 60 D7 64 A4 EC 01 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001ECA4661490, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001ECA4656760, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{297} normal block at 0x000001ECA46668F0, 16 bytes long.
Data: <(mf¤ì > 28 6D 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001ECA46660D0, 16 bytes long.
Data: < mf¤ì > 00 6D 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001ECA465FFC0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{294} normal block at 0x000001ECA4665D10, 16 bytes long.
Data: <Ølf¤ì > D8 6C 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001ECA46661C0, 16 bytes long.
Data: <°lf¤ì > B0 6C 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001ECA4665CC0, 16 bytes long.
Data: < lf¤ì > 88 6C 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001ECA4666490, 16 bytes long.
Data: <`lf¤ì > 60 6C 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001ECA46654C0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{289} normal block at 0x000001ECA4666800, 16 bytes long.
Data: <¸òd¤ì > B8 F2 64 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001ECA465FE40, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{287} normal block at 0x000001ECA4666080, 16 bytes long.
Data: < òd¤ì > 90 F2 64 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001ECA46667B0, 16 bytes long.
Data: <hòd¤ì > 68 F2 64 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001ECA4665BD0, 16 bytes long.
Data: <@òd¤ì > 40 F2 64 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001ECA4665AE0, 16 bytes long.
Data: < òd¤ì > 18 F2 64 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001ECA4666620, 16 bytes long.
Data: <ðñd¤ì > F0 F1 64 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001ECA4666260, 16 bytes long.
Data: <Èñd¤ì > C8 F1 64 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001ECA4660440, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{279} normal block at 0x000001ECA4666710, 16 bytes long.
Data: < ñd¤ì > A0 F1 64 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001ECA464F1A0, 320 bytes long.
Data: < gf¤ì @ f¤ì > 10 67 66 A4 EC 01 00 00 40 04 66 A4 EC 01 00 00
{277} normal block at 0x000001ECA46665D0, 16 bytes long.
Data: <@lf¤ì > 40 6C 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001ECA4665C20, 16 bytes long.
Data: < lf¤ì > 18 6C 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001ECA465FD80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{274} normal block at 0x000001ECA4665B80, 16 bytes long.
Data: <ðkf¤ì > F0 6B 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001ECA4660560, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{272} normal block at 0x000001ECA4665C70, 16 bytes long.
Data: <8kf¤ì > 38 6B 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001ECA4665B30, 16 bytes long.
Data: < kf¤ì > 10 6B 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001ECA4665A90, 16 bytes long.
Data: <èjf¤ì > E8 6A 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001ECA4666440, 16 bytes long.
Data: <Àjf¤ì > C0 6A 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001ECA4666580, 16 bytes long.
Data: < jf¤ì > 98 6A 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001ECA46666C0, 16 bytes long.
Data: <pjf¤ì > 70 6A 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001ECA4666670, 16 bytes long.
Data: <0Uf¤ì > 30 55 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001ECA4665530, 40 bytes long.
Data: <pff¤ì °º5¦ì > 70 66 66 A4 EC 01 00 00 B0 BA 35 A6 EC 01 00 00
{263} normal block at 0x000001ECA4665DB0, 16 bytes long.
Data: <Pjf¤ì > 50 6A 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001ECA4665EF0, 16 bytes long.
Data: <(jf¤ì > 28 6A 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001ECA4660500, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{260} normal block at 0x000001ECA4666850, 16 bytes long.
Data: < jf¤ì > 00 6A 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001ECA4666A00, 992 bytes long.
Data: <Phf¤ì f¤ì > 50 68 66 A4 EC 01 00 00 00 05 66 A4 EC 01 00 00
{95} normal block at 0x000001ECA4660020, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{94} normal block at 0x000001ECA465E220, 16 bytes long.
Data: <0Nf¤ì > 30 4E 66 A4 EC 01 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x000001ECA4664E30, 40 bytes long.
Data: < âe¤ì f¤ì > 20 E2 65 A4 EC 01 00 00 20 00 66 A4 EC 01 00 00
{72} normal block at 0x000001ECA465E360, 16 bytes long.
Data: < ê kö > 80 EA A0 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000001ECA465D780, 16 bytes long.
Data: <@é kö > 40 E9 A0 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000001ECA465DEB0, 16 bytes long.
Data: <øW kö > F8 57 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001ECA465DFF0, 16 bytes long.
Data: <ØW kö > D8 57 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001ECA465E2C0, 16 bytes long.
Data: <P kö > 50 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001ECA465D550, 16 bytes long.
Data: <0 kö > 30 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001ECA465DAF0, 16 bytes long.
Data: <à kö > E0 02 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001ECA465E130, 16 bytes long.
Data: < kö > 10 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001ECA465E310, 16 bytes long.
Data: <p kö > 70 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001ECA465D500, 16 bytes long.
Data: < À›kö > 18 C0 9B 6B F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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