Task 38700020

Name test_351-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND9046_0
Workunit 31640359
Created 6 Nov 2026, 14:12:45 UTC
Sent 6 Nov 2026, 14:12:55 UTC
Report deadline 11 Nov 2026, 14:12:55 UTC
Received 6 Nov 2026, 16:02:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 596137
Run time 1 hours 17 min 40 sec
CPU time 1 hours 12 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.88 MB
Peak swap size 3.86 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
15:46:13 (1972): wrapper (7.9.26016): starting
15:46:13 (1972): 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
15:46:16 (1972): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:46:16 (1972): 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\3\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\3\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
17:01:53 (1972): C:/Windows/system32/cmd.exe exited; CPU time 4359.968750
17:01:53 (1972): 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: 55564553 bytes.
Dumping objects ->
{3835420} normal block at 0x0000023F18F65E50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x0000023F18F66550, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835398} normal block at 0x0000023F18F65BB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835387} normal block at 0x0000023F18F65B40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x0000023F1730B560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835345} normal block at 0x0000023F18E7AFD0, 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) : {3835332} normal block at 0x0000023F173063F0, 8 bytes long.
 Data: <  &#218; ?   > 00 00 DA 18 3F 02 00 00 
{3833953} normal block at 0x0000023F17307200, 8 bytes long.
 Data: <&#160;L&#246; ?   > A0 4C F6 18 3F 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000023F17311020, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000023F172FA960, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000023F17312510, 16 bytes long.
 Data: <X61 ?           > 58 36 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023F173124C0, 16 bytes long.
 Data: <061 ?           > 30 36 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023F1730D010, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000023F17312470, 16 bytes long.
 Data: < 61 ?           > 08 36 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023F17312330, 16 bytes long.
 Data: <&#224;51 ?           > E0 35 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023F173121F0, 16 bytes long.
 Data: <&#184;51 ?           > B8 35 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023F17312EC0, 16 bytes long.
 Data: < 51 ?           > 90 35 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023F1730B1E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000023F17312060, 16 bytes long.
 Data: <X&#196;0 ?           > 58 C4 30 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023F1730CAD0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000023F17312E20, 16 bytes long.
 Data: <0&#196;0 ?           > 30 C4 30 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023F17312420, 16 bytes long.
 Data: < &#196;0 ?           > 08 C4 30 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023F17312DD0, 16 bytes long.
 Data: <&#224;&#195;0 ?           > E0 C3 30 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023F17312790, 16 bytes long.
 Data: <&#184;&#195;0 ?           > B8 C3 30 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023F17312D30, 16 bytes long.
 Data: < &#195;0 ?           > 90 C3 30 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023F17312560, 16 bytes long.
 Data: <h&#195;0 ?           > 68 C3 30 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023F1730C830, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000023F17312CE0, 16 bytes long.
 Data: <@&#195;0 ?           > 40 C3 30 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023F1730C340, 320 bytes long.
 Data: <&#224;,1 ?   0&#200;0 ?   > E0 2C 31 17 3F 02 00 00 30 C8 30 17 3F 02 00 00 
{272} normal block at 0x0000023F17312240, 16 bytes long.
 Data: <p51 ?           > 70 35 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023F17312C90, 16 bytes long.
 Data: <H51 ?           > 48 35 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023F1730CE90, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000023F17312920, 16 bytes long.
 Data: < 51 ?           > 20 35 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023F1730D310, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000023F17312C40, 16 bytes long.
 Data: <h41 ?           > 68 34 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023F173122E0, 16 bytes long.
 Data: <@41 ?           > 40 34 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023F17312BF0, 16 bytes long.
 Data: < 41 ?           > 18 34 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023F17312010, 16 bytes long.
 Data: <&#240;31 ?           > F0 33 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023F17312BA0, 16 bytes long.
 Data: <&#200;31 ?           > C8 33 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000023F173123D0, 16 bytes long.
 Data: <&#160;31 ?           > A0 33 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023F17312B00, 16 bytes long.
 Data: <&#208;&#181;0 ?           > D0 B5 30 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023F1730B5D0, 40 bytes long.
 Data: < +1 ?   &#208;&#175;&#231; ?   > 00 2B 31 17 3F 02 00 00 D0 AF E7 18 3F 02 00 00 
{258} normal block at 0x0000023F17311FC0, 16 bytes long.
 Data: < 31 ?           > 80 33 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023F17312AB0, 16 bytes long.
 Data: <X31 ?           > 58 33 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000023F1730D1F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000023F17312150, 16 bytes long.
 Data: <031 ?           > 30 33 31 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000023F17313330, 992 bytes long.
 Data: <P!1 ?   &#240;&#209;0 ?   > 50 21 31 17 3F 02 00 00 F0 D1 30 17 3F 02 00 00 
{90} normal block at 0x0000023F1730CBF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000023F17306350, 16 bytes long.
 Data: < &#176;0 ?           > 20 B0 30 17 3F 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000023F1730B020, 40 bytes long.
 Data: <Pc0 ?   &#240;&#203;0 ?   > 50 63 30 17 3F 02 00 00 F0 CB 30 17 3F 02 00 00 
{67} normal block at 0x0000023F173071B0, 16 bytes long.
 Data: < &#234;&#139;&#223;&#246;           > 80 EA 8B DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023F17306DF0, 16 bytes long.
 Data: <@&#233;&#139;&#223;&#246;           > 40 E9 8B DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023F17306A30, 16 bytes long.
 Data: <&#248;W &#223;&#246;           > F8 57 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023F17306710, 16 bytes long.
 Data: <&#216;W &#223;&#246;           > D8 57 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023F17306DA0, 16 bytes long.
 Data: <P  &#223;&#246;           > 50 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023F17306CB0, 16 bytes long.
 Data: <0  &#223;&#246;           > 30 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023F17306B70, 16 bytes long.
 Data: <&#224;  &#223;&#246;           > E0 02 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023F17307110, 16 bytes long.
 Data: <   &#223;&#246;           > 10 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023F17306AD0, 16 bytes long.
 Data: <p  &#223;&#246;           > 70 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023F17306E90, 16 bytes long.
 Data: < &#192;&#134;&#223;&#246;           > 18 C0 86 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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