Task 38665780
| Name | test_815-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND7273_1 |
| Workunit | 31607975 |
| Created | 25 Oct 2026, 1:33:03 UTC |
| Sent | 25 Oct 2026, 2:04:52 UTC |
| Report deadline | 30 Oct 2026, 2:04:52 UTC |
| Received | 25 Oct 2026, 8:10:45 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 653368 |
| Run time | 34 min 4 sec |
| CPU time | |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 23,707.18 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 755.70 MB |
| Peak swap size | 12.94 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
07:37:02 (22508): wrapper (7.9.26016): starting
07:37:02 (22508): 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
07:37:03 (22508): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:37:03 (22508): 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:\BOINC2\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:\BOINC2\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
08:10:13 (22508): C:/Windows/system32/cmd.exe exited; CPU time 1887.500000
08:10:13 (22508): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 36701121 bytes.
Dumping objects ->
{3835234} normal block at 0x0000024355AE29B0, 48 bytes long.
Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73
{3835223} normal block at 0x000002435793FA00, 32 bytes long.
Data: <HOME=C:\BOINC2\s> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73
{3835212} normal block at 0x000002435793F160, 32 bytes long.
Data: <TMP=C:\BOINC2\sl> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73 6C
{3835201} normal block at 0x000002435793F340, 32 bytes long.
Data: <TEMP=C:\BOINC2\s> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73
{3835190} normal block at 0x000002435793F760, 32 bytes long.
Data: <TMPDIR=C:\BOINC2> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 32
{3835159} normal block at 0x0000024355AE2DA0, 48 bytes long.
Data: <PATH=C:\BOINC2\s> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 32 5C 73
{3835148} normal block at 0x000002435790C450, 102 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) : {3835145} normal block at 0x0000024355ADCD30, 8 bytes long.
Data: < yWC > 00 00 79 57 43 02 00 00
{3834543} normal block at 0x000002435790C710, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833963} normal block at 0x0000024355ADD230, 8 bytes long.
Data: <pèxWC > 70 E8 78 57 43 02 00 00
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024355ADF0C0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000024355AD6570, 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 0x0000024355AE3610, 16 bytes long.
Data: <XG®UC > 58 47 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x0000024355AE3B10, 16 bytes long.
Data: <0G®UC > 30 47 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000024355ADE6B0, 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 0x0000024355AE36B0, 16 bytes long.
Data: < G®UC > 08 47 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000024355AE33E0, 16 bytes long.
Data: <àF®UC > E0 46 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000024355AE3110, 16 bytes long.
Data: <¸F®UC > B8 46 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000024355AE3AC0, 16 bytes long.
Data: < F®UC > 90 46 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000024355AE2F60, 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 0x0000024355AE3A70, 16 bytes long.
Data: <ÈÆ­UC > C8 C6 AD 55 43 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000024355ADDF30, 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 0x0000024355AE3C50, 16 bytes long.
Data: < Æ­UC > A0 C6 AD 55 43 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000024355AE3B60, 16 bytes long.
Data: <xÆ­UC > 78 C6 AD 55 43 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000024355AE39D0, 16 bytes long.
Data: <PÆ­UC > 50 C6 AD 55 43 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000024355AE3D40, 16 bytes long.
Data: <(Æ­UC > 28 C6 AD 55 43 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000024355AE37A0, 16 bytes long.
Data: < Æ­UC > 00 C6 AD 55 43 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000024355AE38E0, 16 bytes long.
Data: <ØÅ­UC > D8 C5 AD 55 43 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000024355ADE3B0, 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 0x0000024355AE3E30, 16 bytes long.
Data: <°Å­UC > B0 C5 AD 55 43 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000024355ADC5B0, 320 bytes long.
Data: <0>®UC °ã­UC > 30 3E AE 55 43 02 00 00 B0 E3 AD 55 43 02 00 00
{277} normal block at 0x0000024355AE3CA0, 16 bytes long.
Data: <pF®UC > 70 46 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000024355AE3700, 16 bytes long.
Data: <HF®UC > 48 46 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000024355ADDBD0, 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 0x0000024355AE3390, 16 bytes long.
Data: < F®UC > 20 46 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000024355ADDE10, 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 0x0000024355AE3340, 16 bytes long.
Data: <hE®UC > 68 45 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000024355AE3930, 16 bytes long.
Data: <@E®UC > 40 45 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000024355AE3520, 16 bytes long.
Data: < E®UC > 18 45 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000024355AE32F0, 16 bytes long.
Data: <ðD®UC > F0 44 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000024355AE3FC0, 16 bytes long.
Data: <ÈD®UC > C8 44 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000024355AE3980, 16 bytes long.
Data: < D®UC > A0 44 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000024355AE3A20, 16 bytes long.
Data: <`(®UC > 60 28 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000024355AE2860, 40 bytes long.
Data: < :®UC  -®UC > 20 3A AE 55 43 02 00 00 A0 2D AE 55 43 02 00 00
{263} normal block at 0x0000024355AE3250, 16 bytes long.
Data: < D®UC > 80 44 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000024355AE3890, 16 bytes long.
Data: <XD®UC > 58 44 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000024355ADDC30, 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 0x0000024355AE3070, 16 bytes long.
Data: <0D®UC > 30 44 AE 55 43 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000024355AE4430, 992 bytes long.
Data: <p0®UC 0Ü­UC > 70 30 AE 55 43 02 00 00 30 DC AD 55 43 02 00 00
{95} normal block at 0x0000024355ADDB70, 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 0x0000024355ADD550, 16 bytes long.
Data: <0î¬UC > 30 EE AC 55 43 02 00 00 00 00 00 00 00 00 00 00
{93} normal block at 0x0000024355ACEE30, 40 bytes long.
Data: <PÕ­UC pÛ­UC > 50 D5 AD 55 43 02 00 00 70 DB AD 55 43 02 00 00
{72} normal block at 0x0000024355ADD3C0, 16 bytes long.
Data: < ê Õ÷ > 80 EA 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000024355ADD0A0, 16 bytes long.
Data: <@é Õ÷ > 40 E9 02 D5 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000024355ADD5A0, 16 bytes long.
Data: <øWÿÔ÷ > F8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x0000024355ADD000, 16 bytes long.
Data: <ØWÿÔ÷ > D8 57 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000024355ADD050, 16 bytes long.
Data: <P ÿÔ÷ > 50 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000024355ADD370, 16 bytes long.
Data: <0 ÿÔ÷ > 30 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000024355ADD690, 16 bytes long.
Data: <à ÿÔ÷ > E0 02 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000024355ADD500, 16 bytes long.
Data: < ÿÔ÷ > 10 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000024355ADCFB0, 16 bytes long.
Data: <p ÿÔ÷ > 70 04 FF D4 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000024355ADCBA0, 16 bytes long.
Data: < ÀýÔ÷ > 18 C0 FD D4 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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